4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide

C15H22N2O2 — CID 47294536

IUPAC4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)9-14(18)17-13-7-5-12(6-8-13)15(19)16-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyQEQAMAIAMSOMLS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.81
Rot. Bonds5

About 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide

4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide (PubChem CID 47294536) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
PubChem CID47294536
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)9-14(18)17-13-7-5-12(6-8-13)15(19)16-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyQEQAMAIAMSOMLS-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 7571920
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide (CID 47294536) is 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide is CC(C)CC(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is QEQAMAIAMSOMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)9-14(18)17-13-7-5-12(6-8-13)15(19)16-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide?
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 47294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).