4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile

C21H22N2O3 — CID 126432915

IUPAC4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
SMILESCOCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)CCO1
InChIInChI=1S/C21H22N2O3/c1-25-11-9-20-15-23(10-12-26-20)21(24)19-4-2-3-18(13-19)17-7-5-16(14-22)6-8-17/h2-8,13,20H,9-12,15H2,1H3/t20-/m1/s1
InChIKeyAPJHMWYLDSHWRE-HXUWFJFHSA-N
MW350.42 g/mol
LogP3.10
Rot. Bonds5

About 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile

4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile (PubChem CID 126432915) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
PubChem CID126432915
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile
SMILESCOCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)CCO1
InChIInChI=1S/C21H22N2O3/c1-25-11-9-20-15-23(10-12-26-20)21(24)19-4-2-3-18(13-19)17-7-5-16(14-22)6-8-17/h2-8,13,20H,9-12,15H2,1H3/t20-/m1/s1
InChIKeyAPJHMWYLDSHWRE-HXUWFJFHSA-N
XLogP3.10
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(bromomethyl)morpholine-4-carbonyl]benzonitrile
CID 81211073
3-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholine-4-carbonyl]benzonitrile
CID 129343097
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
(2S)-N-[3-(3-chlorophenyl)phenyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 97437523
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
2-(2-methoxyethyl)-N-[4-(4-methylphenyl)phenyl]morpholine-4-carboxamide
CID 118784925
N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323
methyl 2-[4-(3-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534948
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
2-[(2S)-4-[3-(furan-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 129401275
3-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]benzonitrile
CID 129485781

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile?
The IUPAC name of 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile (CID 126432915) is 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile?
The canonical SMILES for 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile is COCC[C@@H]1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)CCO1.
What is the InChIKey of 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile?
The InChIKey is APJHMWYLDSHWRE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-11-9-20-15-23(10-12-26-20)21(24)19-4-2-3-18(13-19)17-7-5-16(14-22)6-8-17/h2-8,13,20H,9-12,15H2,1H3/t20-/m1/s1.
What are the key properties of 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile?
4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile has a molecular weight of 350.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-2-(2-methoxyethyl)morpholine-4-carbonyl]phenyl]benzonitrile is sourced from PubChem (CID 126432915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).