N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide

C18H19N3O2 — CID 60609840

IUPACN-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C18H19N3O2/c1-21(13-5-12-19)18(22)16-6-3-4-7-17(16)20-14-8-10-15(23-2)11-9-14/h3-4,6-11,20H,5,13H2,1-2H3
InChIKeyWKHURAPMWGSUQH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds6

About N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide

N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide (PubChem CID 60609840) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
PubChem CID60609840
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)N(C)CCC#N)cc1
InChIInChI=1S/C18H19N3O2/c1-21(13-5-12-19)18(22)16-6-3-4-7-17(16)20-14-8-10-15(23-2)11-9-14/h3-4,6-11,20H,5,13H2,1-2H3
InChIKeyWKHURAPMWGSUQH-UHFFFAOYSA-N
XLogP3.42
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 55720016
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 111663042
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508
2-[(2-bromobenzoyl)amino]-N-(2-cyanoethyl)-N-methylbenzamide
CID 78798076
N-[2-(3-ethynylanilino)-2-oxoethyl]-2-(4-methoxyanilino)-N-methylbenzamide
CID 55957168
4-[[2-(3-methoxyanilino)benzoyl]-methylamino]butanoic acid
CID 119173444
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670
4-methoxyaniline;2-(4-methoxyanilino)benzoic acid
CID 158145987

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The IUPAC name of N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide (CID 60609840) is N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide is COc1ccc(Nc2ccccc2C(=O)N(C)CCC#N)cc1.
What is the InChIKey of N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide?
The InChIKey is WKHURAPMWGSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(13-5-12-19)18(22)16-6-3-4-7-17(16)20-14-8-10-15(23-2)11-9-14/h3-4,6-11,20H,5,13H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide?
N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide has a molecular weight of 309.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(4-methoxyanilino)-N-methylbenzamide is sourced from PubChem (CID 60609840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).