N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide

C15H18N2O — CID 54997264

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCC#N)C2CC2)c1C
InChIInChI=1S/C15H18N2O/c1-11-5-3-6-14(12(11)2)15(18)17(10-4-9-16)13-7-8-13/h3,5-6,13H,4,7-8,10H2,1-2H3
InChIKeyQHHSNOBCJDFVBI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.82
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide

N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide (PubChem CID 54997264) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
PubChem CID54997264
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(CCC#N)C2CC2)c1C
InChIInChI=1S/C15H18N2O/c1-11-5-3-6-14(12(11)2)15(18)17(10-4-9-16)13-7-8-13/h3,5-6,13H,4,7-8,10H2,1-2H3
InChIKeyQHHSNOBCJDFVBI-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-2-iodo-3-methylbenzamide
CID 113239856
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-6-methylbenzamide
CID 61139154
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
2,4-diamino-N-(2-cyanoethyl)-N-cyclopropylbenzamide
CID 61126513
1-(2-cyanoethyl)-1-cyclopropyl-3-(3-methylphenyl)urea
CID 54949101
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625544
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide (CID 54997264) is N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide is Cc1cccc(C(=O)N(CCC#N)C2CC2)c1C.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide?
The InChIKey is QHHSNOBCJDFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-3-6-14(12(11)2)15(18)17(10-4-9-16)13-7-8-13/h3,5-6,13H,4,7-8,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide?
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide is sourced from PubChem (CID 54997264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).