2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide

C14H17N3O2 — CID 113158289

IUPAC2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17(11(3)18)9-14(19)16-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3,(H,16,19)
InChIKeyMBUPRZNWGFGFIL-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.75
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide

2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide (PubChem CID 113158289) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
PubChem CID113158289
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(C#N)c1)C(C)C
InChIInChI=1S/C14H17N3O2/c1-10(2)17(11(3)18)9-14(19)16-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3,(H,16,19)
InChIKeyMBUPRZNWGFGFIL-UHFFFAOYSA-N
XLogP1.75
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
2-[N-acetyl-4-(dimethylamino)anilino]-N-(3-cyanophenyl)acetamide
CID 113176810
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
CID 115638357
3-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 60829094
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695469
2-[benzhydryl(3-hydroxypropyl)amino]-N-(3-cyanophenyl)acetamide
CID 56513370
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide (CID 113158289) is 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(C#N)c1)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide?
The InChIKey is MBUPRZNWGFGFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)17(11(3)18)9-14(19)16-13-6-4-5-12(7-13)8-15/h4-7,10H,9H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide?
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 113158289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).