(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C22H27N3O4 — CID 92592644

IUPAC(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)COC)CCO1
InChIInChI=1S/C22H27N3O4/c1-3-24-21(27)22(16-25(11-12-29-22)20(26)15-28-2)13-17-7-4-5-9-19(17)18-8-6-10-23-14-18/h4-10,14H,3,11-13,15-16H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyQVOHKTXQGGQJBC-QFIPXVFZSA-N
MW397.48 g/mol
LogP1.67
Rot. Bonds7

About (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92592644) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92592644
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)COC)CCO1
InChIInChI=1S/C22H27N3O4/c1-3-24-21(27)22(16-25(11-12-29-22)20(26)15-28-2)13-17-7-4-5-9-19(17)18-8-6-10-23-14-18/h4-10,14H,3,11-13,15-16H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyQVOHKTXQGGQJBC-QFIPXVFZSA-N
XLogP1.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882
(2S)-N-ethyl-2-[(2-phenylphenyl)methyl]-4-(pyrazine-2-carbonyl)morpholine-2-carboxamide
CID 92592708
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
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
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
4-butanoyl-N,N-dimethyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232870
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
CID 110232981
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92592644) is (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CN(C(=O)COC)CCO1.
What is the InChIKey of (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is QVOHKTXQGGQJBC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-24-21(27)22(16-25(11-12-29-22)20(26)15-28-2)13-17-7-4-5-9-19(17)18-8-6-10-23-14-18/h4-10,14H,3,11-13,15-16H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92592644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).