N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide

C15H17N3O — CID 51180457

IUPACN,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CCC#N)CCC#N)c(C)c1
InChIInChI=1S/C15H17N3O/c1-12-5-6-14(13(2)11-12)15(19)18(9-3-7-16)10-4-8-17/h5-6,11H,3-4,9-10H2,1-2H3
InChIKeyGKSJCJATPIKFFG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.57
Rot. Bonds5

About N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide

N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide (PubChem CID 51180457) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
PubChem CID51180457
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(CCC#N)CCC#N)c(C)c1
InChIInChI=1S/C15H17N3O/c1-12-5-6-14(13(2)11-12)15(19)18(9-3-7-16)10-4-8-17/h5-6,11H,3-4,9-10H2,1-2H3
InChIKeyGKSJCJATPIKFFG-UHFFFAOYSA-N
XLogP2.57
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-3-methylbenzamide
CID 2204619
N-(2-cyanoethyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503533
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150
5-(2,4-dimethylphenyl)-5-oxopentanenitrile
CID 82076507
N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819
3-[cyclopropyl-[2-(2,4-dimethylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62037407
N-(2-bromoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 80661347
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide (CID 51180457) is N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)N(CCC#N)CCC#N)c(C)c1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide?
The InChIKey is GKSJCJATPIKFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-5-6-14(13(2)11-12)15(19)18(9-3-7-16)10-4-8-17/h5-6,11H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide?
N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 51180457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).