N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide

C17H27N3O2 — CID 119659582

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-16(21)19-14-8-6-7-13(11-14)17(22)20(4)10-9-15(18)12(2)3/h6-8,11-12,15H,5,9-10,18H2,1-4H3,(H,19,21)
InChIKeyCFMFZQCUCZCUNN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.48
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide

N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide (PubChem CID 119659582) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
PubChem CID119659582
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)CCC(N)C(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-5-16(21)19-14-8-6-7-13(11-14)17(22)20(4)10-9-15(18)12(2)3/h6-8,11-12,15H,5,9-10,18H2,1-4H3,(H,19,21)
InChIKeyCFMFZQCUCZCUNN-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 119659590
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
CID 95625344
N-(3-acetylphenyl)propanamide
CID 903063
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3-bromobenzamide;hydrochloride
CID 119658376
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide (CID 119659582) is N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(C)CCC(N)C(C)C)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide?
The InChIKey is CFMFZQCUCZCUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-16(21)19-14-8-6-7-13(11-14)17(22)20(4)10-9-15(18)12(2)3/h6-8,11-12,15H,5,9-10,18H2,1-4H3,(H,19,21).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide?
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 119659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).