3-(N-acetylanilino)-N-(2-methylpropyl)propanamide

C15H22N2O2 — CID 113123336

IUPAC3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-16-15(19)9-10-17(13(3)18)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,16,19)
InChIKeyBODOUJNJQAPKBI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.20
Rot. Bonds6

About 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide

3-(N-acetylanilino)-N-(2-methylpropyl)propanamide (PubChem CID 113123336) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
PubChem CID113123336
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(N-acetylanilino)-N-(2-methylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCC(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-16-15(19)9-10-17(13(3)18)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,16,19)
InChIKeyBODOUJNJQAPKBI-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-tert-butylanilino)-N-(2-methylpropyl)propanamide
CID 113126503
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-(N-acetyl-3,4-dimethylanilino)-N-(2-methylpropyl)propanamide
CID 113124465
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
3-(N-acetylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113123377

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide (CID 113123336) is 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide is CC(=O)N(CCC(=O)NCC(C)C)c1ccccc1.
What is the InChIKey of 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is BODOUJNJQAPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)11-16-15(19)9-10-17(13(3)18)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,16,19).
What are the key properties of 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide?
3-(N-acetylanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetylanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113123336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).