(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

C26H27N3O3 — CID 92618507

IUPAC(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(Cc1ccccc1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C26H27N3O3/c30-24(17-21-9-3-1-4-10-21)29-15-16-32-26(20-29,18-23-13-7-8-14-27-23)25(31)28-19-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,28,31)/t26-/m1/s1
InChIKeyBSGKOILJPBNZEO-AREMUKBSSA-N
MW429.52 g/mol
LogP2.78
Rot. Bonds7

About (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide

(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 92618507) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
PubChem CID92618507
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
SMILESO=C(Cc1ccccc1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C26H27N3O3/c30-24(17-21-9-3-1-4-10-21)29-15-16-32-26(20-29,18-23-13-7-8-14-27-23)25(31)28-19-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,28,31)/t26-/m1/s1
InChIKeyBSGKOILJPBNZEO-AREMUKBSSA-N
XLogP2.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-4-(pyridine-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 92618504
N-benzyl-4-(pyridine-3-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110253807
N-benzyl-4-(5-methyl-1H-pyrazole-4-carbonyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide
CID 110088626
N-methyl-4-[2-(4-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233019
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2R)-4-[2-(4-fluorophenyl)acetyl]-N-methyl-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610099
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-N-ethyl-3-[(3-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxamide
CID 92592317
(3R)-N-ethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 92591973
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-methyl-4-[2-(3-methylphenyl)acetyl]-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233020
N-ethyl-4-(pyridine-2-carbonyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232882

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide (CID 92618507) is (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is O=C(Cc1ccccc1)N1CCO[C@@](Cc2ccccn2)(C(=O)NCc2ccccc2)C1.
What is the InChIKey of (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is BSGKOILJPBNZEO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-24(17-21-9-3-1-4-10-21)29-15-16-32-26(20-29,18-23-13-7-8-14-27-23)25(31)28-19-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,28,31)/t26-/m1/s1.
What are the key properties of (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide?
(2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-4-(2-phenylacetyl)-2-(pyridin-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 92618507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).