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N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide hydrochloride

N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide hydrochloride

CAS: 1215711-91-3

Formula: C12H17ClN2O3

SMILES: Cl.COC1=CC=C(N)C(=C1)C(=O)CCNC(C)=O

IUPAC: N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide hydrochloride

InChI: InChI=1S/C12H16N2O3.ClH/c1-8(15)14-6-5-12(16)10-7-9(17-2)3-4-11(10)13;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H

Composition: C (52.85%), H (6.28%), Cl (13.00%), N (10.27%), O (17.60%)

Molar Mass: 272.73

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.0927701
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey JMBYMENFYWCJRD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.13
Topological Polar Surface Area 81.42
Polarizability 24.48
Ring Count 1
Rotatable Bond Count 5

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