N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide

C15H18N2O2 — CID 54982144

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCC#N)C2CC2)ccc1C
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12(10-14(11)19-2)15(18)17(9-3-8-16)13-6-7-13/h4-5,10,13H,3,6-7,9H2,1-2H3
InChIKeyOYXAJZQSAGTCBS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.52
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide (PubChem CID 54982144) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
PubChem CID54982144
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCC#N)C2CC2)ccc1C
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12(10-14(11)19-2)15(18)17(9-3-8-16)13-6-7-13/h4-5,10,13H,3,6-7,9H2,1-2H3
InChIKeyOYXAJZQSAGTCBS-UHFFFAOYSA-N
XLogP2.52
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-(2-cyanoethyl)-N-cyclopropyl-4-(dimethylamino)benzamide
CID 54997505
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
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)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-(cyanomethyl)-N-cyclopropyl-3,4,5-trimethoxybenzamide
CID 47796126
N-(2-chloroethyl)-N-cyclopropyl-4-fluoro-3-methoxybenzamide
CID 81284079

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide (CID 54982144) is N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N(CCC#N)C2CC2)ccc1C.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide?
The InChIKey is OYXAJZQSAGTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-5-12(10-14(11)19-2)15(18)17(9-3-8-16)13-6-7-13/h4-5,10,13H,3,6-7,9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxy-4-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.52, 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-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 54982144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).