(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide

C17H23N3O2 — CID 97216021

IUPAC(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
SMILESCC(C)[C@H](C#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H23N3O2/c1-13(2)15(10-18)19-17(21)16-12-20(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-9,11-12H2,1-2H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyIUPDDMZBPOMUAC-JKSUJKDBSA-N
MW301.39 g/mol
LogP1.55
Rot. Bonds5

About (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide

(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide (PubChem CID 97216021) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
PubChem CID97216021
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide
SMILESCC(C)[C@H](C#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H23N3O2/c1-13(2)15(10-18)19-17(21)16-12-20(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-9,11-12H2,1-2H3,(H,19,21)/t15-,16+/m0/s1
InChIKeyIUPDDMZBPOMUAC-JKSUJKDBSA-N
XLogP1.55
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-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

4-benzyl-N-[1-(furan-2-yl)propan-2-yl]morpholine-2-carboxamide
CID 75373190
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
4-benzyl-N-(4-cyano-1-methylpiperidin-4-yl)morpholine-2-carboxamide
CID 71874213
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
(2S)-4-benzyl-N-[2-(4-cyanopyrazol-1-yl)ethyl]morpholine-2-carboxamide
CID 95775919
N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
CID 120567890
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide (CID 97216021) is (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide is CC(C)[C@H](C#N)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide?
The InChIKey is IUPDDMZBPOMUAC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)15(10-18)19-17(21)16-12-20(8-9-22-16)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-9,11-12H2,1-2H3,(H,19,21)/t15-,16+/m0/s1.
What are the key properties of (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide?
(2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-N-[(1R)-1-cyano-2-methylpropyl]morpholine-2-carboxamide is sourced from PubChem (CID 97216021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).