(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide

C27H28N2O3 — CID 92605696

IUPAC(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C27H28N2O3/c1-28(2)26(31)27(19-23-15-9-10-16-24(23)21-11-5-3-6-12-21)20-29(17-18-32-27)25(30)22-13-7-4-8-14-22/h3-16H,17-20H2,1-2H3/t27-/m0/s1
InChIKeyAQSQBQDVCVAVNY-MHZLTWQESA-N
MW428.53 g/mol
LogP3.90
Rot. Bonds5

About (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92605696) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92605696
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1
InChIInChI=1S/C27H28N2O3/c1-28(2)26(31)27(19-23-15-9-10-16-24(23)21-11-5-3-6-12-21)20-29(17-18-32-27)25(30)22-13-7-4-8-14-22/h3-16H,17-20H2,1-2H3/t27-/m0/s1
InChIKeyAQSQBQDVCVAVNY-MHZLTWQESA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605721
(2S)-N,N-dimethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605722
(2R)-N,N-dimethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92605758
2-[[2-(4-fluorophenyl)phenyl]methyl]-N,N-dimethyl-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 110232959
2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
CID 110232963
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232936
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
(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-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide (CID 92605696) is (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide is CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)c2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is AQSQBQDVCVAVNY-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28N2O3/c1-28(2)26(31)27(19-23-15-9-10-16-24(23)21-11-5-3-6-12-21)20-29(17-18-32-27)25(30)22-13-7-4-8-14-22/h3-16H,17-20H2,1-2H3/t27-/m0/s1.
What are the key properties of (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzoyl-N,N-dimethyl-2-[(2-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92605696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).