4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile

C19H18N2O3 — CID 17465828

IUPAC4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O3/c20-13-15-5-7-16(8-6-15)14-24-18-4-2-1-3-17(18)19(22)21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChIKeyGZGXPEZXIACASP-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.61
Rot. Bonds4

About 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile

4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile (PubChem CID 17465828) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
PubChem CID17465828
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile
SMILESN#Cc1ccc(COc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H18N2O3/c20-13-15-5-7-16(8-6-15)14-24-18-4-2-1-3-17(18)19(22)21-9-11-23-12-10-21/h1-8H,9-12,14H2
InChIKeyGZGXPEZXIACASP-UHFFFAOYSA-N
XLogP2.61
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methoxy]phenyl]-morpholin-4-ylmethanethione
CID 4291255
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
(2-morpholin-4-yl-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2365991
[2-[(2-methylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 21264591
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846409
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
4-[[4-(2-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 55622621
N-[3-(morpholine-4-carbonyl)phenyl]-2-phenylmethoxybenzamide
CID 175178131
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile?
The IUPAC name of 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile (CID 17465828) is 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile is N#Cc1ccc(COc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile?
The InChIKey is GZGXPEZXIACASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-13-15-5-7-16(8-6-15)14-24-18-4-2-1-3-17(18)19(22)21-9-11-23-12-10-21/h1-8H,9-12,14H2.
What are the key properties of 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile?
4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile has a molecular weight of 322.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 17465828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).