(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C25H31N3O4 — CID 95848988

IUPAC(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1
InChIInChI=1S/C25H31N3O4/c1-18(2)27-24(30)25(17-28(12-14-32-25)23(29)22-6-4-13-31-22)15-19-7-9-20(10-8-19)21-5-3-11-26-16-21/h3,5,7-11,16,18,22H,4,6,12-15,17H2,1-2H3,(H,27,30)/t22-,25-/m1/s1
InChIKeyUERCIKNBCTVYGK-RCZVLFRGSA-N
MW437.54 g/mol
LogP2.59
Rot. Bonds6

About (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 95848988) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID95848988
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1
InChIInChI=1S/C25H31N3O4/c1-18(2)27-24(30)25(17-28(12-14-32-25)23(29)22-6-4-13-31-22)15-19-7-9-20(10-8-19)21-5-3-11-26-16-21/h3,5,7-11,16,18,22H,4,6,12-15,17H2,1-2H3,(H,27,30)/t22-,25-/m1/s1
InChIKeyUERCIKNBCTVYGK-RCZVLFRGSA-N
XLogP2.59
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]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-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
(2S)-4-(cyclohexanecarbonyl)-N-prop-2-enyl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92548678
(2R)-N-ethyl-4-(pyridine-3-carbonyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592677
(2R)-N,N-dimethyl-2-[[4-(3-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 92561023
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578984
(3R)-1-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579805
(3S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609697
N-ethyl-1-(oxolane-2-carbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083941
N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231777

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 95848988) is (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)[C@H]2CCCO2)CCO1.
What is the InChIKey of (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is UERCIKNBCTVYGK-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-18(2)27-24(30)25(17-28(12-14-32-25)23(29)22-6-4-13-31-22)15-19-7-9-20(10-8-19)21-5-3-11-26-16-21/h3,5,7-11,16,18,22H,4,6,12-15,17H2,1-2H3,(H,27,30)/t22-,25-/m1/s1.
What are the key properties of (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-oxolane-2-carbonyl]-N-propan-2-yl-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95848988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).