2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide

C14H20N2O2 — CID 32897161

IUPAC2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O2/c1-4-10(2)16-14(18)9-15-13-7-5-6-12(8-13)11(3)17/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyOIGPIPOPHULPAW-SNVBAGLBSA-N
MW248.33 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide

2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide (PubChem CID 32897161) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
PubChem CID32897161
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O2/c1-4-10(2)16-14(18)9-15-13-7-5-6-12(8-13)11(3)17/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)/t10-/m1/s1
InChIKeyOIGPIPOPHULPAW-SNVBAGLBSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841093
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide (CID 32897161) is 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)CNc1cccc(C(C)=O)c1.
What is the InChIKey of 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is OIGPIPOPHULPAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10(2)16-14(18)9-15-13-7-5-6-12(8-13)11(3)17/h5-8,10,15H,4,9H2,1-3H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide?
2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 32897161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).