N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide

C15H20N2O3 — CID 112999507

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)CC(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)7-14(19)16-9-15(20)17-13-6-4-5-12(8-13)11(3)18/h4-6,8,10H,7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJCEDXKDXYNTQGK-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds6

About N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide

N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide (PubChem CID 112999507) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
PubChem CID112999507
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)CC(C)C)c1
InChIInChI=1S/C15H20N2O3/c1-10(2)7-14(19)16-9-15(20)17-13-6-4-5-12(8-13)11(3)18/h4-6,8,10H,7,9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJCEDXKDXYNTQGK-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-(3-acetylphenyl)-3,4,4-trimethylpentanamide
CID 55260812
N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
CID 766020
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(tert-butylamino)acetamide
CID 31628083
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999279
(2S,3S)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099769
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
methyl 4-[[2-(3-acetylanilino)-2-oxoethyl]amino]benzoate
CID 26506872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide (CID 112999507) is N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide is CC(=O)c1cccc(NC(=O)CNC(=O)CC(C)C)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide?
The InChIKey is JCEDXKDXYNTQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)7-14(19)16-9-15(20)17-13-6-4-5-12(8-13)11(3)18/h4-6,8,10H,7,9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 112999507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).