3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide

C16H19N3O2 — CID 60530745

IUPAC3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C16H19N3O2/c1-10-4-5-11(14(20)18-12-6-7-12)8-13(10)19-15(21)16(2,3)9-17/h4-5,8,12H,6-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJAQUVPQLPKNCFK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.38
Rot. Bonds4

About 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide

3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 60530745) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID60530745
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)(C)C#N
InChIInChI=1S/C16H19N3O2/c1-10-4-5-11(14(20)18-12-6-7-12)8-13(10)19-15(21)16(2,3)9-17/h4-5,8,12H,6-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJAQUVPQLPKNCFK-UHFFFAOYSA-N
XLogP2.38
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
3-cyano-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-methylindole-6-carboxamide
CID 58328258
3-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 94007148
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide (CID 60530745) is 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(C)(C)C#N.
What is the InChIKey of 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is JAQUVPQLPKNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-4-5-11(14(20)18-12-6-7-12)8-13(10)19-15(21)16(2,3)9-17/h4-5,8,12H,6-7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide?
3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyano-2-methylpropanoyl)amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 60530745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).