2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide

C12H15N3O — CID 62983360

IUPAC2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)N)c1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-12(2,14)11(16)15(3)10-6-4-9(8-13)5-7-10/h4-7H,14H2,1-3H3
InChIKeySEDRLXFUDCJHQW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.26
Rot. Bonds2

About 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide

2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide (PubChem CID 62983360) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
PubChem CID62983360
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)N)c1ccc(C#N)cc1
InChIInChI=1S/C12H15N3O/c1-12(2,14)11(16)15(3)10-6-4-9(8-13)5-7-10/h4-7H,14H2,1-3H3
InChIKeySEDRLXFUDCJHQW-UHFFFAOYSA-N
XLogP1.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 103429961
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(4-cyanophenyl)-2-(ethylamino)-N,2-dimethylpropanamide
CID 62982145
N-(4-cyanophenyl)-2-methoxy-N,2-dimethylbutanamide
CID 114105638
N-[4-[3-(4-cyanophenoxy)propoxy]phenyl]-N,2,2-trimethylpropanamide
CID 112827984
1-amino-N-(4-cyanophenyl)-N-methylcyclopropane-1-carboxamide
CID 65464094
2-(4-cyano-N-methylanilino)-2-methylpropanoic acid
CID 62819086
N-tert-butyl-N-(4-cyanophenyl)carbamate
CID 155885638
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
N-(4-cyanophenyl)-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108967624
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
N-(4-cyanophenyl)-N,5-dimethylthiophene-2-carboxamide
CID 55141574

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide (CID 62983360) is 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)N)c1ccc(C#N)cc1.
What is the InChIKey of 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide?
The InChIKey is SEDRLXFUDCJHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,14)11(16)15(3)10-6-4-9(8-13)5-7-10/h4-7H,14H2,1-3H3.
What are the key properties of 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide?
2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyanophenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 62983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).