(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C24H23N3O3 — CID 92574060

IUPAC(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C24H23N3O3/c25-23(29)24(16-18-5-4-8-21(15-18)19-9-11-26-12-10-19)17-27(13-14-30-24)22(28)20-6-2-1-3-7-20/h1-12,15H,13-14,16-17H2,(H2,25,29)/t24-/m0/s1
InChIKeyCALGSTMUBHWOGC-DEOSSOPVSA-N
MW401.47 g/mol
LogP2.69
Rot. Bonds5

About (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92574060) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92574060
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C24H23N3O3/c25-23(29)24(16-18-5-4-8-21(15-18)19-9-11-26-12-10-19)17-27(13-14-30-24)22(28)20-6-2-1-3-7-20/h1-12,15H,13-14,16-17H2,(H2,25,29)/t24-/m0/s1
InChIKeyCALGSTMUBHWOGC-DEOSSOPVSA-N
XLogP2.69
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92599569
(2S)-4-(3-phenylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574627
4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232994
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-(pyridine-4-carbonyl)-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 92571548
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
CID 92558351
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
(2S)-N,N-dimethyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 95848951

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92574060) is (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is NC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)c2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is CALGSTMUBHWOGC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23N3O3/c25-23(29)24(16-18-5-4-8-21(15-18)19-9-11-26-12-10-19)17-27(13-14-30-24)22(28)20-6-2-1-3-7-20/h1-12,15H,13-14,16-17H2,(H2,25,29)/t24-/m0/s1.
What are the key properties of (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92574060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).