(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide

C25H30N2O4 — CID 95848940

IUPAC(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)[C@H]2CCCO2)CCO1
InChIInChI=1S/C25H30N2O4/c1-18-8-10-20(11-9-18)21-6-3-5-19(15-21)16-25(24(29)26-2)17-27(12-14-31-25)23(28)22-7-4-13-30-22/h3,5-6,8-11,15,22H,4,7,12-14,16-17H2,1-2H3,(H,26,29)/t22-,25-/m1/s1
InChIKeyFPNLPLAEFACOQC-RCZVLFRGSA-N
MW422.53 g/mol
LogP2.73
Rot. Bonds5

About (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide

(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide (PubChem CID 95848940) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
PubChem CID95848940
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)[C@H]2CCCO2)CCO1
InChIInChI=1S/C25H30N2O4/c1-18-8-10-20(11-9-18)21-6-3-5-19(15-21)16-25(24(29)26-2)17-27(12-14-31-25)23(28)22-7-4-13-30-22/h3,5-6,8-11,15,22H,4,7,12-14,16-17H2,1-2H3,(H,26,29)/t22-,25-/m1/s1
InChIKeyFPNLPLAEFACOQC-RCZVLFRGSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide with MolForge

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Related Compounds

2-[[4-(4-fluorophenyl)phenyl]methyl]-N-methyl-4-(oxolane-2-carbonyl)morpholine-2-carboxamide
CID 110233454
(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)phenyl]methyl]-1-[(2R)-oxolane-2-carbonyl]pyrrolidine-3-carboxamide
CID 92558271
(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848988
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610112
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide (CID 95848940) is (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CN(C(=O)[C@H]2CCCO2)CCO1.
What is the InChIKey of (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide?
The InChIKey is FPNLPLAEFACOQC-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-18-8-10-20(11-9-18)21-6-3-5-19(15-21)16-25(24(29)26-2)17-27(12-14-31-25)23(28)22-7-4-13-30-22/h3,5-6,8-11,15,22H,4,7,12-14,16-17H2,1-2H3,(H,26,29)/t22-,25-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide?
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide is sourced from PubChem (CID 95848940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).