(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide

C22H24N2O3 — CID 134704571

IUPAC(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)N(Cc2ccccc2)CC2CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H24N2O3/c25-19-15-27-21(20(23-19)18-9-5-2-6-10-18)22(26)24(14-17-11-12-17)13-16-7-3-1-4-8-16/h1-10,17,20-21H,11-15H2,(H,23,25)/t20-,21+/m1/s1
InChIKeyMJVGPKJOQKKXHF-RTWAWAEBSA-N
MW364.44 g/mol
LogP2.68
Rot. Bonds6

About (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide

(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide (PubChem CID 134704571) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
PubChem CID134704571
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
SMILESO=C1CO[C@H](C(=O)N(Cc2ccccc2)CC2CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H24N2O3/c25-19-15-27-21(20(23-19)18-9-5-2-6-10-18)22(26)24(14-17-11-12-17)13-16-7-3-1-4-8-16/h1-10,17,20-21H,11-15H2,(H,23,25)/t20-,21+/m1/s1
InChIKeyMJVGPKJOQKKXHF-RTWAWAEBSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713224
(2S,3R)-N-butyl-N-[(2-methylphenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134703136
benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
(2S,3R)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134709300
(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
CID 134712547
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 171359208
(2S,3R)-N-[2-ethyl-2-(hydroxymethyl)butyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134701701
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
CID 134706737
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide (CID 134704571) is (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide is O=C1CO[C@H](C(=O)N(Cc2ccccc2)CC2CC2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
The InChIKey is MJVGPKJOQKKXHF-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-19-15-27-21(20(23-19)18-9-5-2-6-10-18)22(26)24(14-17-11-12-17)13-16-7-3-1-4-8-16/h1-10,17,20-21H,11-15H2,(H,23,25)/t20-,21+/m1/s1.
What are the key properties of (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide?
(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 134704571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).