4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide

C20H19N3O3 — CID 30380859

IUPAC4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H19N3O3/c21-13-15-1-5-17(6-2-15)19(24)22-14-16-3-7-18(8-4-16)20(25)23-9-11-26-12-10-23/h1-8H,9-12,14H2,(H,22,24)
InChIKeyUEXOMRPYYXQNRO-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.96
Rot. Bonds4

About 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide

4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide (PubChem CID 30380859) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
PubChem CID30380859
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide
SMILESN#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H19N3O3/c21-13-15-1-5-17(6-2-15)19(24)22-14-16-3-7-18(8-4-16)20(25)23-9-11-26-12-10-23/h1-8H,9-12,14H2,(H,22,24)
InChIKeyUEXOMRPYYXQNRO-UHFFFAOYSA-N
XLogP1.96
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
CID 46326816
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
CID 110200973
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722004

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide (CID 30380859) is 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide is N#Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide?
The InChIKey is UEXOMRPYYXQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-13-15-1-5-17(6-2-15)19(24)22-14-16-3-7-18(8-4-16)20(25)23-9-11-26-12-10-23/h1-8H,9-12,14H2,(H,22,24).
What are the key properties of 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide?
4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 30380859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).