(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide

C15H22N2O3 — CID 128983267

IUPAC(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-4-5-12(8-13(10)19-3)9-17-6-7-20-11(2)14(17)15(16)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H2,16,18)/t11-,14+/m1/s1
InChIKeyGJUKPZMJPPAKIC-RISCZKNCSA-N
MW278.35 g/mol
LogP1.08
Rot. Bonds4

About (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 128983267) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID128983267
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)ccc1C
InChIInChI=1S/C15H22N2O3/c1-10-4-5-12(8-13(10)19-3)9-17-6-7-20-11(2)14(17)15(16)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H2,16,18)/t11-,14+/m1/s1
InChIKeyGJUKPZMJPPAKIC-RISCZKNCSA-N
XLogP1.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-4-[(5-cyano-2-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128987013
(2R,3S)-4-[2-(3-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 128987031
(2R,3S)-2-methyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholine-3-carboxamide
CID 128987044
(2R,3S)-4-[(4-bromo-2-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983411
(2R,3S)-4-[(2-bromo-4-chlorophenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983412
(2R,3S)-4-[(1-benzylpyrazol-4-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 128983261
2-(3-methoxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 60700942
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897
(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
CID 167968895
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 65338326
(3S)-1-[(3-methoxy-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 120836214

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 128983267) is (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide is COc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)ccc1C.
What is the InChIKey of (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is GJUKPZMJPPAKIC-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-5-12(8-13(10)19-3)9-17-6-7-20-11(2)14(17)15(16)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H2,16,18)/t11-,14+/m1/s1.
What are the key properties of (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[(3-methoxy-4-methylphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 128983267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).