(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide

C20H21N3O2 — CID 97090709

IUPAC(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)CN(C(=O)NCc2cccc(C#N)c2)CCO1
InChIInChI=1S/C20H21N3O2/c1-20(18-8-3-2-4-9-18)15-23(10-11-25-20)19(24)22-14-17-7-5-6-16(12-17)13-21/h2-9,12H,10-11,14-15H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyDRZZOANSINBWCL-FQEVSTJZSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds3

About (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide

(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide (PubChem CID 97090709) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
PubChem CID97090709
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide
SMILESC[C@@]1(c2ccccc2)CN(C(=O)NCc2cccc(C#N)c2)CCO1
InChIInChI=1S/C20H21N3O2/c1-20(18-8-3-2-4-9-18)15-23(10-11-25-20)19(24)22-14-17-7-5-6-16(12-17)13-21/h2-9,12H,10-11,14-15H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyDRZZOANSINBWCL-FQEVSTJZSA-N
XLogP3.02
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide 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

2-benzyl-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 84596545
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
N-[(3-chlorophenyl)methyl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine-4-carboxamide
CID 71969637
2-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-phenylmorpholine-4-carboxamide
CID 166218985
2-methyl-N-(4-methylsulfanylbutyl)-2-phenylmorpholine-4-carboxamide
CID 71970349
N-[(3-cyanophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 47249348
1-[(3-cyanophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032285
(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
N-[(3-cyanophenyl)methyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxamide
CID 97068980
3-[(2R)-2-methyl-2-phenylmorpholine-4-carbonyl]benzoic acid
CID 124688908
(2S)-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-4-carboxamide
CID 99824406
2-(3-chloro-4-fluorophenyl)-N-[(3-cyanophenyl)methyl]morpholine-4-carboxamide
CID 102555839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide (CID 97090709) is (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide is C[C@@]1(c2ccccc2)CN(C(=O)NCc2cccc(C#N)c2)CCO1.
What is the InChIKey of (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide?
The InChIKey is DRZZOANSINBWCL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(18-8-3-2-4-9-18)15-23(10-11-25-20)19(24)22-14-17-7-5-6-16(12-17)13-21/h2-9,12H,10-11,14-15H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide?
(2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-cyanophenyl)methyl]-2-methyl-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 97090709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).