2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide

C16H23N3O2 — CID 24692164

IUPAC2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2/c1-10(2)9-13(17)16(21)19-14-6-4-3-5-12(14)15(20)18-11-7-8-11/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXKVLKAUDGVTEIV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide

2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide (PubChem CID 24692164) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
PubChem CID24692164
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide
SMILESCC(C)CC(N)C(=O)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C16H23N3O2/c1-10(2)9-13(17)16(21)19-14-6-4-3-5-12(14)15(20)18-11-7-8-11/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXKVLKAUDGVTEIV-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610
2-[(2-amino-4-methylpentanoyl)amino]-N-propylbenzamide
CID 24710893
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-[(3-amino-2-methoxypropanoyl)amino]-N-cyclopropylbenzamide
CID 106111162
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
2-(2-methylbutanoylamino)-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 131939573
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide (CID 24692164) is 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide is CC(C)CC(N)C(=O)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide?
The InChIKey is XKVLKAUDGVTEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)9-13(17)16(21)19-14-6-4-3-5-12(14)15(20)18-11-7-8-11/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide?
2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methylpentanoyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 24692164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).