N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

C17H28ClN3O2 — CID 119657837

IUPACN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h4-8,13,15H,9-12,18H2,1-3H3,(H,19,21);1H
InChIKeyVJZBRSVNTBSQLR-UHFFFAOYSA-N
MW341.88 g/mol
LogP1.60
Rot. Bonds8

About N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride

N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119657837) has the molecular formula C17H28ClN3O2 and a molecular weight of 341.88 g/mol. Its IUPAC name is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
PubChem CID119657837
Molecular FormulaC17H28ClN3O2
Molecular Weight341.88 g/mol
Exact Mass341.19
IUPAC NameN-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)CNC(=O)Cc1ccccc1.Cl
InChIInChI=1S/C17H27N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h4-8,13,15H,9-12,18H2,1-3H3,(H,19,21);1H
InChIKeyVJZBRSVNTBSQLR-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
CID 119659415
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119653013
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 119658134
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide;hydrochloride
CID 119658985

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride (CID 119657837) is N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)CNC(=O)Cc1ccccc1.Cl.
What is the InChIKey of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is VJZBRSVNTBSQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.ClH/c1-13(2)15(18)9-10-20(3)17(22)12-19-16(21)11-14-7-5-4-6-8-14;/h4-8,13,15H,9-12,18H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride?
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119657837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).