N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide

C21H24N2O3 — CID 78872335

IUPACN-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C21H24N2O3/c1-2-3-12-23(13-14-24)21(25)17-8-10-20(11-9-17)26-16-19-7-5-4-6-18(19)15-22/h4-11,24H,2-3,12-14,16H2,1H3
InChIKeyVKJQJLLPFAMQOD-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.37
Rot. Bonds9

About N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide

N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide (PubChem CID 78872335) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
PubChem CID78872335
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(OCc2ccccc2C#N)cc1
InChIInChI=1S/C21H24N2O3/c1-2-3-12-23(13-14-24)21(25)17-8-10-20(11-9-17)26-16-19-7-5-4-6-18(19)15-22/h4-11,24H,2-3,12-14,16H2,1H3
InChIKeyVKJQJLLPFAMQOD-UHFFFAOYSA-N
XLogP3.37
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-[4-(2-cyanophenoxy)phenyl]-1-(2-hydroxyethyl)urea
CID 60577685
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N,N-dibutyl-4-methoxybenzamide
CID 2163395
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
1-[[4-[(2-cyanophenyl)methoxy]benzoyl]amino]-3-methylurea
CID 86835841
methyl N-[4-[(2-cyanophenyl)methoxy]phenyl]carbamate
CID 47059942
4-[(2-cyanophenyl)methoxy]-N-ethyl-N-phenylbenzenesulfonamide
CID 2536387
3-[4-[(2-cyanophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900836
N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 78856047
4-[(2-cyanophenyl)methoxy]-N-cyclopentylbenzamide
CID 39717917
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide (CID 78872335) is N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1ccc(OCc2ccccc2C#N)cc1.
What is the InChIKey of N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
The InChIKey is VKJQJLLPFAMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-3-12-23(13-14-24)21(25)17-8-10-20(11-9-17)26-16-19-7-5-4-6-18(19)15-22/h4-11,24H,2-3,12-14,16H2,1H3.
What are the key properties of N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide?
N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2-cyanophenyl)methoxy]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 78872335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).