(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide

C19H28N2O4 — CID 120927845

IUPAC(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@H]3NCCO[C@@H]3C)CCOCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14-17(20-9-12-25-14)18(22)21-13-19(7-10-24-11-8-19)15-3-5-16(23-2)6-4-15/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,22)/t14-,17+/m1/s1
InChIKeySMXFFSQBKKQFTK-PBHICJAKSA-N
MW348.44 g/mol
LogP1.24
Rot. Bonds5

About (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120927845) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120927845
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)[C@H]3NCCO[C@@H]3C)CCOCC2)cc1
InChIInChI=1S/C19H28N2O4/c1-14-17(20-9-12-25-14)18(22)21-13-19(7-10-24-11-8-19)15-3-5-16(23-2)6-4-15/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,22)/t14-,17+/m1/s1
InChIKeySMXFFSQBKKQFTK-PBHICJAKSA-N
XLogP1.24
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920621
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927495
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
CID 120937874
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
CID 120625704
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide (CID 120927845) is (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide is COc1ccc(C2(CNC(=O)[C@H]3NCCO[C@@H]3C)CCOCC2)cc1.
What is the InChIKey of (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is SMXFFSQBKKQFTK-PBHICJAKSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-17(20-9-12-25-14)18(22)21-13-19(7-10-24-11-8-19)15-3-5-16(23-2)6-4-15/h3-6,14,17,20H,7-13H2,1-2H3,(H,21,22)/t14-,17+/m1/s1.
What are the key properties of (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120927845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).