5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride

C19H25ClN2O2 — CID 120639082

IUPAC5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(CC(C)O)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13-8-9-17(20)11-18(13)19(23)21-12-16(10-14(2)22)15-6-4-3-5-7-15;/h3-9,11,14,16,22H,10,12,20H2,1-2H3,(H,21,23);1H
InChIKeyLCQRWVPCHZWWDJ-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.28
Rot. Bonds6

About 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride

5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride (PubChem CID 120639082) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
PubChem CID120639082
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(CC(C)O)c1ccccc1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13-8-9-17(20)11-18(13)19(23)21-12-16(10-14(2)22)15-6-4-3-5-7-15;/h3-9,11,14,16,22H,10,12,20H2,1-2H3,(H,21,23);1H
InChIKeyLCQRWVPCHZWWDJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
CID 110027851
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
CID 120636797
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
CID 120625790
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
5-amino-2-methyl-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]benzamide;dihydrochloride
CID 120646718
N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110012995
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride (CID 120639082) is 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCC(CC(C)O)c1ccccc1.Cl.
What is the InChIKey of 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride?
The InChIKey is LCQRWVPCHZWWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-13-8-9-17(20)11-18(13)19(23)21-12-16(10-14(2)22)15-6-4-3-5-7-15;/h3-9,11,14,16,22H,10,12,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride?
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120639082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).