(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

C15H22N2O4 — CID 120921508

IUPAC(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10-14(16-6-7-21-10)15(18)17-9-11-4-5-12(19-2)8-13(11)20-3/h4-5,8,10,14,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyYJYMARUPHPSCOV-YGRLFVJLSA-N
MW294.35 g/mol
LogP0.70
Rot. Bonds5

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

(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120921508) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120921508
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OC)c1
InChIInChI=1S/C15H22N2O4/c1-10-14(16-6-7-21-10)15(18)17-9-11-4-5-12(19-2)8-13(11)20-3/h4-5,8,10,14,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyYJYMARUPHPSCOV-YGRLFVJLSA-N
XLogP0.70
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926162
(2R,3S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936748
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
CID 134128095
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 120921508) is (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is COc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OC)c1.
What is the InChIKey of (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is YJYMARUPHPSCOV-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-14(16-6-7-21-10)15(18)17-9-11-4-5-12(19-2)8-13(11)20-3/h4-5,8,10,14,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120921508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).