(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

C27H28N2O4 — CID 92610112

IUPAC(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1
InChIInChI=1S/C27H28N2O4/c1-28-26(31)27(18-20-8-6-11-22(16-20)21-9-4-3-5-10-21)19-29(14-15-33-27)25(30)23-12-7-13-24(17-23)32-2/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,28,31)/t27-/m0/s1
InChIKeyGUAZZNFHWQIOMH-MHZLTWQESA-N
MW444.53 g/mol
LogP3.56
Rot. Bonds6

About (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide

(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92610112) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92610112
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1
InChIInChI=1S/C27H28N2O4/c1-28-26(31)27(18-20-8-6-11-22(16-20)21-9-4-3-5-10-21)19-29(14-15-33-27)25(30)23-12-7-13-24(17-23)32-2/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,28,31)/t27-/m0/s1
InChIKeyGUAZZNFHWQIOMH-MHZLTWQESA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.56
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
N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 110233229
4-butanoyl-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233131
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2R)-N-methyl-2-[[3-(4-methylphenyl)phenyl]methyl]-4-[(2R)-oxolane-2-carbonyl]morpholine-2-carboxamide
CID 95848940
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(3-methoxyphenyl)-[9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]methanone
CID 118562293
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide (CID 92610112) is (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CN(C(=O)c2cccc(OC)c2)CCO1.
What is the InChIKey of (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is GUAZZNFHWQIOMH-MHZLTWQESA-N. The full InChI is InChI=1S/C27H28N2O4/c1-28-26(31)27(18-20-8-6-11-22(16-20)21-9-4-3-5-10-21)19-29(14-15-33-27)25(30)23-12-7-13-24(17-23)32-2/h3-13,16-17H,14-15,18-19H2,1-2H3,(H,28,31)/t27-/m0/s1.
What are the key properties of (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3-methoxybenzoyl)-N-methyl-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92610112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).