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

C15H22N2O5 — CID 99943698

IUPAC(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2CNCCO2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O5/c1-19-11-6-10(7-12(20-2)14(11)21-3)8-17-15(18)13-9-16-4-5-22-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyKICMRSHMIASSTD-ZDUSSCGKSA-N
MW310.35 g/mol
LogP0.32
Rot. Bonds6

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

(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide (PubChem CID 99943698) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
PubChem CID99943698
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2CNCCO2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O5/c1-19-11-6-10(7-12(20-2)14(11)21-3)8-17-15(18)13-9-16-4-5-22-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyKICMRSHMIASSTD-ZDUSSCGKSA-N
XLogP0.32
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 119764891
(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-(2,4,5-trimethoxyphenyl)morpholine-2-carboxamide
CID 119808138
N-[[4-(ethoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718295
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 154900926
N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 103808140
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416
N-[[4-(4-fluorophenoxy)-3-methylphenyl]methyl]morpholine-2-carboxamide
CID 119758431
4-hydroxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119691568
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide (CID 99943698) is (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide is COc1cc(CNC(=O)[C@@H]2CNCCO2)cc(OC)c1OC.
What is the InChIKey of (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is KICMRSHMIASSTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-19-11-6-10(7-12(20-2)14(11)21-3)8-17-15(18)13-9-16-4-5-22-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide?
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 99943698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).