2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride

C21H29ClN2O3 — CID 119690822

IUPAC2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-15(2)20(22)21(24)23-13-17-10-11-18(19(12-17)25-3)26-14-16-8-6-5-7-9-16;/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24);1H
InChIKeyQDYYXZIHRUTMLL-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.69
Rot. Bonds9

About 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119690822) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID119690822
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC Name2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-4-15(2)20(22)21(24)23-13-17-10-11-18(19(12-17)25-3)26-14-16-8-6-5-7-9-16;/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24);1H
InChIKeyQDYYXZIHRUTMLL-UHFFFAOYSA-N
XLogP3.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;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

2-amino-3-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]propanamide;hydrochloride
CID 120983886
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 119271942
4-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentanamide
CID 120559289
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
(3S)-2-amino-N-[2-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]ethyl]-3-methylpentanamide
CID 59965556
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
[1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methoxy-4-phenylmethoxybenzoate
CID 55419475
3-benzyl-1-butan-2-yl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708379
2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589
2-(diethylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 86908679

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride (CID 119690822) is 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1ccc(OCc2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is QDYYXZIHRUTMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-4-15(2)20(22)21(24)23-13-17-10-11-18(19(12-17)25-3)26-14-16-8-6-5-7-9-16;/h5-12,15,20H,4,13-14,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119690822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).