N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C23H29N3O3 — CID 110232856

IUPACN-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C23H29N3O3/c1-4-25-22(28)23(16-26(13-14-29-23)21(27)17(2)3)15-19-7-5-6-8-20(19)18-9-11-24-12-10-18/h5-12,17H,4,13-16H2,1-3H3,(H,25,28)
InChIKeyWIUYKGBHCICWOW-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232856) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232856
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C23H29N3O3/c1-4-25-22(28)23(16-26(13-14-29-23)21(27)17(2)3)15-19-7-5-6-8-20(19)18-9-11-24-12-10-18/h5-12,17H,4,13-16H2,1-3H3,(H,25,28)
InChIKeyWIUYKGBHCICWOW-UHFFFAOYSA-N
XLogP2.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232858
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553113
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
N,N-dimethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232871
(2R)-4-(cyclohexanecarbonyl)-N-methyl-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610069
(2R)-N-methyl-4-(pyrazine-2-carbonyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610151
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553097

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232856) is N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CN(C(=O)C(C)C)CCO1.
What is the InChIKey of N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is WIUYKGBHCICWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-25-22(28)23(16-26(13-14-29-23)21(27)17(2)3)15-19-7-5-6-8-20(19)18-9-11-24-12-10-18/h5-12,17H,4,13-16H2,1-3H3,(H,25,28).
What are the key properties of N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).