N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide

C15H19N3O — CID 54997505

IUPACN-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N(CCC#N)C2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-17(2)13-6-4-12(5-7-13)15(19)18(11-3-10-16)14-8-9-14/h4-7,14H,3,8-9,11H2,1-2H3
InChIKeyPVXDVCCFTBLJEG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.27
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide

N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide (PubChem CID 54997505) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
PubChem CID54997505
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)N(CCC#N)C2CC2)cc1
InChIInChI=1S/C15H19N3O/c1-17(2)13-6-4-12(5-7-13)15(19)18(11-3-10-16)14-8-9-14/h4-7,14H,3,8-9,11H2,1-2H3
InChIKeyPVXDVCCFTBLJEG-UHFFFAOYSA-N
XLogP2.27
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
CID 54982144
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-cyclopropyl-4-(trifluoromethoxy)benzamide
CID 115592849
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N-(2-cyanoethyl)-N-cyclopropyl-3-propan-2-yloxybenzamide
CID 62919298
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-cyanoethyl)-4-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 60654474
N-cyclopropyl-4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32589817
6-[2-cyanoethyl(cyclopropyl)carbamoyl]pyridine-3-carboxylic acid
CID 54997229
N-(2-cyanoethyl)-N-(oxan-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56784305
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 54997264
6-amino-N-(2-cyanoethyl)-N-cyclopropylpyridazine-3-carboxamide
CID 62159894

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide (CID 54997505) is N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)N(CCC#N)C2CC2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide?
The InChIKey is PVXDVCCFTBLJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17(2)13-6-4-12(5-7-13)15(19)18(11-3-10-16)14-8-9-14/h4-7,14H,3,8-9,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide?
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide is sourced from PubChem (CID 54997505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).