(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide

C16H24N2O5 — CID 120919660

IUPAC(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-10-14(17-5-6-23-10)16(19)18-9-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-8,10,14,17H,5-6,9H2,1-4H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyQLVBEUOQRVDQTM-YGRLFVJLSA-N
MW324.38 g/mol
LogP0.71
Rot. Bonds6

About (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide (PubChem CID 120919660) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
PubChem CID120919660
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc(OC)c1OC
InChIInChI=1S/C16H24N2O5/c1-10-14(17-5-6-23-10)16(19)18-9-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-8,10,14,17H,5-6,9H2,1-4H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyQLVBEUOQRVDQTM-YGRLFVJLSA-N
XLogP0.71
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120925384
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931537
(2R,3S)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931152
(2S,4S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618500
(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926162
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919803

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide (CID 120919660) is (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide is COc1cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc(OC)c1OC.
What is the InChIKey of (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide?
The InChIKey is QLVBEUOQRVDQTM-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10-14(17-5-6-23-10)16(19)18-9-11-7-12(20-2)15(22-4)13(8-11)21-3/h7-8,10,14,17H,5-6,9H2,1-4H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120919660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).