N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide

C21H28N2O — CID 119659415

IUPACN-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)20(22)13-14-23(3)21(24)19-12-8-7-11-18(19)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15,22H2,1-3H3
InChIKeyBZGOKHQTLIRHFW-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.72
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide

N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide (PubChem CID 119659415) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
PubChem CID119659415
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H28N2O/c1-16(2)20(22)13-14-23(3)21(24)19-12-8-7-11-18(19)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15,22H2,1-3H3
InChIKeyBZGOKHQTLIRHFW-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-(3-amino-4-methylpentyl)-2-benzamido-N-methylbenzamide;hydrochloride
CID 119659612
N-(3-amino-4-methylpentyl)-N-methyl-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 119660814
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 119657829
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
N-(3-amino-4-methylpentyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 119659075

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide (CID 119659415) is N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1ccccc1Cc1ccccc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide?
The InChIKey is BZGOKHQTLIRHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)20(22)13-14-23(3)21(24)19-12-8-7-11-18(19)15-17-9-5-4-6-10-17/h4-12,16,20H,13-15,22H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide has a molecular weight of 324.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-benzyl-N-methylbenzamide is sourced from PubChem (CID 119659415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).