3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide

C17H27N3O3 — CID 119661293

IUPAC3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOc1cccc(C(N)=O)c1
InChIInChI=1S/C17H27N3O3/c1-12(2)15(18)7-9-20(3)16(21)8-10-23-14-6-4-5-13(11-14)17(19)22/h4-6,11-12,15H,7-10,18H2,1-3H3,(H2,19,22)
InChIKeyXVBWHNFFODKMGB-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.39
Rot. Bonds9

About 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide

3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide (PubChem CID 119661293) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
PubChem CID119661293
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide
SMILESCC(C)C(N)CCN(C)C(=O)CCOc1cccc(C(N)=O)c1
InChIInChI=1S/C17H27N3O3/c1-12(2)15(18)7-9-20(3)16(21)8-10-23-14-6-4-5-13(11-14)17(19)22/h4-6,11-12,15H,7-10,18H2,1-3H3,(H2,19,22)
InChIKeyXVBWHNFFODKMGB-UHFFFAOYSA-N
XLogP1.39
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
N-(3-amino-4-methylpentyl)-3-methoxy-N-methylpropanamide
CID 81485025
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
3-propoxybenzamide
CID 22311435
(2S)-2-[3-(3-carbamoylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 119359380
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(3-propan-2-ylphenoxy)propanamide
CID 43291263
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123
N-(3-amino-4-methylpentyl)-N-methyl-4-(2-methylphenoxy)butanamide;hydrochloride
CID 119661185
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide (CID 119661293) is 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide is CC(C)C(N)CCN(C)C(=O)CCOc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide?
The InChIKey is XVBWHNFFODKMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)15(18)7-9-20(3)16(21)8-10-23-14-6-4-5-13(11-14)17(19)22/h4-6,11-12,15H,7-10,18H2,1-3H3,(H2,19,22).
What are the key properties of 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide?
3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide has a molecular weight of 321.42 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-amino-4-methylpentyl)-methylamino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 119661293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).