4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide

C16H24N2O2 — CID 977275

IUPAC4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-5-6-12(4)17-16(20)13-7-9-14(10-8-13)18-15(19)11(2)3/h7-12H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyYYGFHXPRCQZGJY-GFCCVEGCSA-N
MW276.38 g/mol
LogP3.20
Rot. Bonds6

About 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide

4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 977275) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
PubChem CID977275
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-5-6-12(4)17-16(20)13-7-9-14(10-8-13)18-15(19)11(2)3/h7-12H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyYYGFHXPRCQZGJY-GFCCVEGCSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
N-[(2R)-2-(ethylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120654100
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55824637
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide (CID 977275) is 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide is CCC[C@@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is YYGFHXPRCQZGJY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-6-12(4)17-16(20)13-7-9-14(10-8-13)18-15(19)11(2)3/h7-12H,5-6H2,1-4H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 977275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).