2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide

C20H21N3O2 — CID 84596545

IUPAC2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCOC(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O2/c21-13-17-7-4-8-18(11-17)14-22-20(24)23-9-10-25-19(15-23)12-16-5-2-1-3-6-16/h1-8,11,19H,9-10,12,14-15H2,(H,22,24)
InChIKeyNRNFBPUXRHBEIH-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.71
Rot. Bonds4

About 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide

2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide (PubChem CID 84596545) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
PubChem CID84596545
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
SMILESN#Cc1cccc(CNC(=O)N2CCOC(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H21N3O2/c21-13-17-7-4-8-18(11-17)14-22-20(24)23-9-10-25-19(15-23)12-16-5-2-1-3-6-16/h1-8,11,19H,9-10,12,14-15H2,(H,22,24)
InChIKeyNRNFBPUXRHBEIH-UHFFFAOYSA-N
XLogP2.71
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 102555839
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 47249348
4-[[[2-(3-cyanophenyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122020926
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
CID 97090709
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide (CID 84596545) is 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide is N#Cc1cccc(CNC(=O)N2CCOC(Cc3ccccc3)C2)c1.
What is the InChIKey of 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
The InChIKey is NRNFBPUXRHBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-13-17-7-4-8-18(11-17)14-22-20(24)23-9-10-25-19(15-23)12-16-5-2-1-3-6-16/h1-8,11,19H,9-10,12,14-15H2,(H,22,24).
What are the key properties of 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide?
2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 84596545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).