N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide

C13H15N3O2 — CID 82118259

IUPACN-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)CC#N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUJSYZDMUIOUDDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.13
Rot. Bonds4

About N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide

N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide (PubChem CID 82118259) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
PubChem CID82118259
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)CC#N)cc1
InChIInChI=1S/C13H15N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyUJSYZDMUIOUDDI-UHFFFAOYSA-N
XLogP2.13
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-2-methyl-N-(4-methylphenyl)propanamide
CID 82112482
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
CID 171259999
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
N-[4-(2-cyanopropylamino)phenyl]acetamide
CID 43245372
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
3-(4-acetamidoanilino)-2-methyl-3-oxopropanoic acid
CID 114897099
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide (CID 82118259) is N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)CC#N)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide?
The InChIKey is UJSYZDMUIOUDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(7-8-14)13(18)16-12-5-3-11(4-6-12)15-10(2)17/h3-6,9H,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide?
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide is sourced from PubChem (CID 82118259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).