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

C26H26N2O4 — CID 92601214

IUPAC(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCO[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1
InChIInChI=1S/C26H26N2O4/c1-31-23-10-6-5-9-22(23)24(29)28-15-16-32-26(18-28,25(27)30)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H2,27,30)/t26-/m0/s1
InChIKeyPTOPCMWNDAUQEL-SANMLTNESA-N
MW430.50 g/mol
LogP3.30
Rot. Bonds6

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

(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92601214) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92601214
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCO[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1
InChIInChI=1S/C26H26N2O4/c1-31-23-10-6-5-9-22(23)24(29)28-15-16-32-26(18-28,25(27)30)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H2,27,30)/t26-/m0/s1
InChIKeyPTOPCMWNDAUQEL-SANMLTNESA-N
XLogP3.30
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(2-methoxy-3-methylbenzoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848975
(2R)-4-butanoyl-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92586577
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232994
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
4-butanoyl-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233463
(2S)-4-(cyclopropanecarbonyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561011
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2R)-4-(3-methylbutanoyl)-2-[[4-(3-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92561025
(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92599569

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide (CID 92601214) is (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide is COc1ccccc1C(=O)N1CCO[C@](Cc2ccc(-c3ccccc3)cc2)(C(N)=O)C1.
What is the InChIKey of (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is PTOPCMWNDAUQEL-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O4/c1-31-23-10-6-5-9-22(23)24(29)28-15-16-32-26(18-28,25(27)30)17-19-11-13-21(14-12-19)20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H2,27,30)/t26-/m0/s1.
What are the key properties of (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide?
(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92601214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).