(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide

C12H15N3O — CID 28835398

IUPAC(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
SMILESC[C@H](Nc1ccc(C#N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H15N3O/c1-9(12(16)15(2)3)14-11-6-4-10(8-13)5-7-11/h4-7,9,14H,1-3H3/t9-/m0/s1
InChIKeyXIDPWWUYNMZANU-VIFPVBQESA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds3

About (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide

(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide (PubChem CID 28835398) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
PubChem CID28835398
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide
SMILESC[C@H](Nc1ccc(C#N)cc1)C(=O)N(C)C
InChIInChI=1S/C12H15N3O/c1-9(12(16)15(2)3)14-11-6-4-10(8-13)5-7-11/h4-7,9,14H,1-3H3/t9-/m0/s1
InChIKeyXIDPWWUYNMZANU-VIFPVBQESA-N
XLogP1.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoanilino)-N,N-dimethylpropanamide
CID 43086047
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
methyl 2-(4-cyanoanilino)propanoate
CID 43515132
(2S)-N-(4-cyanophenyl)-2-(4-iodoanilino)propanamide
CID 7492581
2-(4-cyanophenoxy)-N,N-dimethylpropanamide
CID 17400502
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43215756
2-(3-ethynylanilino)-N,N-dimethylpropanamide
CID 43116515
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
2-(2-cyano-3-fluoroanilino)-N,N-dimethylpropanamide
CID 43580682
(2S,3S)-2-(4-cyanoanilino)-3-methylpentanoic acid
CID 120964660
4-(4-cyanoanilino)-N,N-dimethylbutanamide
CID 54983863
2-[(3-cyanopyrazin-2-yl)amino]-N,N-dimethylpropanamide
CID 62673065

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide (CID 28835398) is (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide is C[C@H](Nc1ccc(C#N)cc1)C(=O)N(C)C.
What is the InChIKey of (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide?
The InChIKey is XIDPWWUYNMZANU-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(12(16)15(2)3)14-11-6-4-10(8-13)5-7-11/h4-7,9,14H,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide?
(2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanoanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 28835398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).