(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide

C16H22N2O2 — CID 120935072

IUPAC(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-11-15(17-7-8-20-11)16(19)18-14-10-13(14)9-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19)/t11-,13?,14?,15+/m1/s1
InChIKeyKQHVWXXHYSPIRP-WPPJOMGTSA-N
MW274.36 g/mol
LogP1.11
Rot. Bonds4

About (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120935072) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
PubChem CID120935072
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC1Cc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-11-15(17-7-8-20-11)16(19)18-14-10-13(14)9-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19)/t11-,13?,14?,15+/m1/s1
InChIKeyKQHVWXXHYSPIRP-WPPJOMGTSA-N
XLogP1.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120935420
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-2-methyl-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]morpholine-3-carboxamide
CID 120936054
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 120932111
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920621
(2R,3S)-N-(1-benzoylpiperidin-4-yl)-2-methylmorpholine-3-carboxamide
CID 120920249

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide (CID 120935072) is (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NC1CC1Cc1ccccc1.
What is the InChIKey of (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is KQHVWXXHYSPIRP-WPPJOMGTSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-15(17-7-8-20-11)16(19)18-14-10-13(14)9-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3,(H,18,19)/t11-,13?,14?,15+/m1/s1.
What are the key properties of (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-benzylcyclopropyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120935072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).