2-cyano-N-[2-(dimethylamino)phenyl]butanamide

C13H17N3O — CID 106759912

IUPAC2-cyano-N-[2-(dimethylamino)phenyl]butanamide
SMILESCCC(C#N)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H17N3O/c1-4-10(9-14)13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8,10H,4H2,1-3H3,(H,15,17)
InChIKeyCXOBUEGMEYMPLX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About 2-cyano-N-[2-(dimethylamino)phenyl]butanamide

2-cyano-N-[2-(dimethylamino)phenyl]butanamide (PubChem CID 106759912) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cyano-N-[2-(dimethylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(dimethylamino)phenyl]butanamide
PubChem CID106759912
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-cyano-N-[2-(dimethylamino)phenyl]butanamide
SMILESCCC(C#N)C(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C13H17N3O/c1-4-10(9-14)13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8,10H,4H2,1-3H3,(H,15,17)
InChIKeyCXOBUEGMEYMPLX-UHFFFAOYSA-N
XLogP2.24
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111116846
N-[2-(dimethylamino)phenyl]-2-phenylbutanamide;2,2,2-trifluoroacetic acid
CID 50985949
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
2-amino-N-[2-(dimethylamino)phenyl]-3-phenylpropanamide
CID 43710155
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(dimethylamino)phenyl]butanamide?
The IUPAC name of 2-cyano-N-[2-(dimethylamino)phenyl]butanamide (CID 106759912) is 2-cyano-N-[2-(dimethylamino)phenyl]butanamide.
What is the SMILES notation for 2-cyano-N-[2-(dimethylamino)phenyl]butanamide?
The canonical SMILES for 2-cyano-N-[2-(dimethylamino)phenyl]butanamide is CCC(C#N)C(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 2-cyano-N-[2-(dimethylamino)phenyl]butanamide?
The InChIKey is CXOBUEGMEYMPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-10(9-14)13(17)15-11-7-5-6-8-12(11)16(2)3/h5-8,10H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-cyano-N-[2-(dimethylamino)phenyl]butanamide?
2-cyano-N-[2-(dimethylamino)phenyl]butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(dimethylamino)phenyl]butanamide is sourced from PubChem (CID 106759912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).