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1-[4-({4-[(dimethylcarbamoyl)amino]phenyl}methyl)phenyl]-3,3-dimethylurea

1-[4-({4-[(dimethylcarbamoyl)amino]phenyl}methyl)phenyl]-3,3-dimethylurea

CAS: 10097-09-3

Formula: C19H24N4O2

SMILES: CN(C)C(=O)NC1=CC=C(CC2=CC=C(NC(=O)N(C)C)C=C2)C=C1

IUPAC: 1-[4-({4-[(dimethylcarbamoyl)amino]phenyl}methyl)phenyl]-3,3-dimethylurea

InChI: InChI=1S/C19H24N4O2/c1-22(2)18(24)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(25)23(3)4/h5-12H,13H2,1-4H3,(H,20,24)(H,21,25)

Composition: C (67.04%), H (7.11%), N (16.46%), O (9.40%)

Molar Mass: 340.427

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 340.189926029
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MOAPNXVHLARBNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.46
Topological Polar Surface Area 64.68
Polarizability 37.39
Ring Count 2
Rotatable Bond Count 4

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