3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride

C20H27ClN2O2 — CID 119950814

IUPAC3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-20(2,16-9-11-17(24-3)12-10-16)14-22-19(23)13-18(21)15-7-5-4-6-8-15;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyQLTCXUYURUYAFS-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.60
Rot. Bonds7

About 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119950814) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
PubChem CID119950814
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
SMILESCOc1ccc(C(C)(C)CNC(=O)CC(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-20(2,16-9-11-17(24-3)12-10-16)14-22-19(23)13-18(21)15-7-5-4-6-8-15;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H
InChIKeyQLTCXUYURUYAFS-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
N-[2-(4-methoxyphenyl)-2-methylpropyl]pentanamide
CID 113090425
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylpentanamide
CID 119758287

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride (CID 119950814) is 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride is COc1ccc(C(C)(C)CNC(=O)CC(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is QLTCXUYURUYAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-20(2,16-9-11-17(24-3)12-10-16)14-22-19(23)13-18(21)15-7-5-4-6-8-15;/h4-12,18H,13-14,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).