N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride

C18H23ClN2O2 — CID 119419153

IUPACN-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
SMILESCCCC(C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-7-15(13-8-5-4-6-9-13)18(21)20-14-10-11-17(22-2)16(19)12-14;/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21);1H
InChIKeySLMDPUZDAGMRFW-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.22
Rot. Bonds6

About N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride

N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride (PubChem CID 119419153) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
PubChem CID119419153
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
SMILESCCCC(C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-7-15(13-8-5-4-6-9-13)18(21)20-14-10-11-17(22-2)16(19)12-14;/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21);1H
InChIKeySLMDPUZDAGMRFW-UHFFFAOYSA-N
XLogP4.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide;hydrochloride
CID 119419212
N-(3-amino-4-methoxyphenyl)-2-[(2-phenylacetyl)amino]pentanamide
CID 119419213
N-(3-amino-4-methoxyphenyl)-2-methylbutanamide
CID 43599878
N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
CID 9245233
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
CID 4836017
3-[[(2R)-2-phenylpentanoyl]amino]benzamide
CID 41260026
N-[2-(3-amino-4-methoxyanilino)-2-oxo-1-phenylethyl]-3-methylbutanamide
CID 119419225
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride (CID 119419153) is N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride is CCCC(C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1.Cl.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride?
The InChIKey is SLMDPUZDAGMRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-7-15(13-8-5-4-6-9-13)18(21)20-14-10-11-17(22-2)16(19)12-14;/h4-6,8-12,15H,3,7,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride?
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride is sourced from PubChem (CID 119419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).