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

C16H24N2O2 — CID 7318150

IUPAC4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCC)cc1
InChIInChI=1S/C16H24N2O2/c1-4-6-12(3)17-16(20)13-8-10-14(11-9-13)18-15(19)7-5-2/h8-12H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOXYDTUKLYZIIQN-GFCCVEGCSA-N
MW276.38 g/mol
LogP3.34
Rot. Bonds7

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

4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide (PubChem CID 7318150) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
PubChem CID7318150
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCC)cc1
InChIInChI=1S/C16H24N2O2/c1-4-6-12(3)17-16(20)13-8-10-14(11-9-13)18-15(19)7-5-2/h8-12H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyOXYDTUKLYZIIQN-GFCCVEGCSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
4-(2-methylpropanoylamino)-N-[(2S)-pentan-2-yl]benzamide
CID 977274
4-(2-methylpropanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 977275
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
CID 126801750
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
4-acetamido-N-butan-2-ylbenzamide
CID 4540233

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide (CID 7318150) is 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide is CCCC(=O)Nc1ccc(C(=O)N[C@H](C)CCC)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
The InChIKey is OXYDTUKLYZIIQN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-6-12(3)17-16(20)13-8-10-14(11-9-13)18-15(19)7-5-2/h8-12H,4-7H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide?
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide is sourced from PubChem (CID 7318150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).