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

C26H27N3O4 — CID 110232994

IUPAC4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCOC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1
InChIInChI=1S/C26H27N3O4/c1-2-32-23-9-4-3-8-22(23)24(30)29-14-15-33-26(18-29,25(27)31)17-19-6-5-7-21(16-19)20-10-12-28-13-11-20/h3-13,16H,2,14-15,17-18H2,1H3,(H2,27,31)
InChIKeyMPGPKTSFNMVKAB-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.09
Rot. Bonds7

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

4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232994) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232994
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCOC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1
InChIInChI=1S/C26H27N3O4/c1-2-32-23-9-4-3-8-22(23)24(30)29-14-15-33-26(18-29,25(27)31)17-19-6-5-7-21(16-19)20-10-12-28-13-11-20/h3-13,16H,2,14-15,17-18H2,1H3,(H2,27,31)
InChIKeyMPGPKTSFNMVKAB-UHFFFAOYSA-N
XLogP3.09
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-benzoyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92574060
(2S)-4-(3-methoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92599569
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2S)-4-(2-methoxybenzoyl)-2-[(4-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92601214
(2R)-2-[(3-phenylphenyl)methyl]-4-propanoylmorpholine-2-carboxamide
CID 92585376
(2R)-4-(2-methoxyacetyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 92610806
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
4-butanoyl-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 110233206
(2S)-2-[[3-(4-methylphenyl)phenyl]methyl]-4-(4-methylthiadiazole-5-carbonyl)morpholine-2-carboxamide
CID 92558351
(2R)-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(pyridine-3-carbonyl)morpholine-2-carboxamide
CID 92569626
(2R)-4-(2-methoxy-3-methylbenzoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848975
4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232994) is 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CCOc1ccccc1C(=O)N1CCOC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)C1.
What is the InChIKey of 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is MPGPKTSFNMVKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-2-32-23-9-4-3-8-22(23)24(30)29-14-15-33-26(18-29,25(27)31)17-19-6-5-7-21(16-19)20-10-12-28-13-11-20/h3-13,16H,2,14-15,17-18H2,1H3,(H2,27,31).
What are the key properties of 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxybenzoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).