N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide

C21H23N3O3 — CID 134466501

IUPACN-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
SMILESCCOC(CCNC(=O)c1ccccc1)CNC(=O)c1ccccc1C#N
InChIInChI=1S/C21H23N3O3/c1-2-27-18(12-13-23-20(25)16-8-4-3-5-9-16)15-24-21(26)19-11-7-6-10-17(19)14-22/h3-11,18H,2,12-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyPCJSDOWCWKTRSY-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.51
Rot. Bonds9

About N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide

N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide (PubChem CID 134466501) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide.

Molecular Properties

Compound NameN-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
PubChem CID134466501
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide
SMILESCCOC(CCNC(=O)c1ccccc1)CNC(=O)c1ccccc1C#N
InChIInChI=1S/C21H23N3O3/c1-2-27-18(12-13-23-20(25)16-8-4-3-5-9-16)15-24-21(26)19-11-7-6-10-17(19)14-22/h3-11,18H,2,12-13,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyPCJSDOWCWKTRSY-UHFFFAOYSA-N
XLogP2.51
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-ethoxy-4-(trifluoromethylsulfonylamino)butyl]benzamide
CID 134466629
2-cyano-N-[6-[(2-cyanobenzoyl)amino]hexyl]benzamide
CID 19777006
N-(3-cyanopropyl)benzamide
CID 62666234
N-butyl-2-(2-cyanophenyl)sulfanylbenzamide
CID 36711444
2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
2-amino-N-[4-(dimethylamino)-2-ethoxybutyl]benzamide;dihydrochloride
CID 119947402
benzamidomethyl(triethyl)phosphanium thiocyanate
CID 71397985
4-cyano-N-(2,2-diethoxyethyl)benzamide
CID 78909770
6-benzamidohexan-2-yl benzoate
CID 67531968
N-[(2R,3S)-4-benzamido-2-ethoxy-3-hydroxybutyl]-2-(dimethylamino)benzamide
CID 129207042
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
2-ethynyl-N-(3-methylbutyl)benzamide
CID 87312816

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide?
The IUPAC name of N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide (CID 134466501) is N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide.
What is the SMILES notation for N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide?
The canonical SMILES for N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide is CCOC(CCNC(=O)c1ccccc1)CNC(=O)c1ccccc1C#N.
What is the InChIKey of N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide?
The InChIKey is PCJSDOWCWKTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-27-18(12-13-23-20(25)16-8-4-3-5-9-16)15-24-21(26)19-11-7-6-10-17(19)14-22/h3-11,18H,2,12-13,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide?
N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide has a molecular weight of 365.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2-ethoxybutyl)-2-cyanobenzamide is sourced from PubChem (CID 134466501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).