2-(4-aminophenyl)-N-cyano-2-methylpropanamide

C11H13N3O — CID 80556066

IUPAC2-(4-aminophenyl)-N-cyano-2-methylpropanamide
SMILESCC(C)(C(=O)NC#N)c1ccc(N)cc1
InChIInChI=1S/C11H13N3O/c1-11(2,10(15)14-7-12)8-3-5-9(13)6-4-8/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyXPCZMRFISATPSF-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-aminophenyl)-N-cyano-2-methylpropanamide

2-(4-aminophenyl)-N-cyano-2-methylpropanamide (PubChem CID 80556066) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-cyano-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-cyano-2-methylpropanamide
PubChem CID80556066
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(4-aminophenyl)-N-cyano-2-methylpropanamide
SMILESCC(C)(C(=O)NC#N)c1ccc(N)cc1
InChIInChI=1S/C11H13N3O/c1-11(2,10(15)14-7-12)8-3-5-9(13)6-4-8/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyXPCZMRFISATPSF-UHFFFAOYSA-N
XLogP1.14
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
CID 80556333
2-(4-aminophenyl)-N-(3,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 104828198
4-amino-N-cyanobenzamide
CID 12713849
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
2-(4-aminophenyl)-N-(1,3-dihydroxypropan-2-yl)-2-methylpropanamide
CID 80556063
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-3,3-dimethylbutanoic acid
CID 80555297
N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
CID 112674142
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-cyano-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-cyano-2-methylpropanamide (CID 80556066) is 2-(4-aminophenyl)-N-cyano-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-cyano-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-cyano-2-methylpropanamide is CC(C)(C(=O)NC#N)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-cyano-2-methylpropanamide?
The InChIKey is XPCZMRFISATPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,10(15)14-7-12)8-3-5-9(13)6-4-8/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-aminophenyl)-N-cyano-2-methylpropanamide?
2-(4-aminophenyl)-N-cyano-2-methylpropanamide has a molecular weight of 203.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-cyano-2-methylpropanamide is sourced from PubChem (CID 80556066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).