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4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butanoic acid

4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butanoic acid

CAS: 475203-77-1

Formula: C16H25NO3

SMILES: CCN(CCCC(O)=O)C(C)CC1=CC=C(OC)C=C1

IUPAC: 4-{ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butanoic acid

InChI: InChI=1/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)

Composition: C (68.79%), H (9.02%), N (5.01%), O (17.18%)

Molar Mass: 279.38

Atom Count: 45

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 279.183443669
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UZUWRVLVHOYTNN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.53
Topological Polar Surface Area 49.77
Polarizability 31.38
Ring Count 1
Rotatable Bond Count 9

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