(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide

C19H28N2O4 — CID 120936172

IUPAC(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OCC2CCCO2)c1
InChIInChI=1S/C19H28N2O4/c1-13-5-6-15(17(10-13)25-12-16-4-3-8-24-16)11-21-19(22)18-14(2)23-9-7-20-18/h5-6,10,14,16,18,20H,3-4,7-9,11-12H2,1-2H3,(H,21,22)/t14-,16?,18+/m1/s1
InChIKeyVHRBGEVUNABNQR-ZRFIFAGDSA-N
MW348.44 g/mol
LogP1.55
Rot. Bonds6

About (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 120936172) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
PubChem CID120936172
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OCC2CCCO2)c1
InChIInChI=1S/C19H28N2O4/c1-13-5-6-15(17(10-13)25-12-16-4-3-8-24-16)11-21-19(22)18-14(2)23-9-7-20-18/h5-6,10,14,16,18,20H,3-4,7-9,11-12H2,1-2H3,(H,21,22)/t14-,16?,18+/m1/s1
InChIKeyVHRBGEVUNABNQR-ZRFIFAGDSA-N
XLogP1.55
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
2-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977012
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
N-[[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 97320450
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
3-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 119339663
1-cyclopent-3-en-1-yl-3-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]urea
CID 71970329
4-(aminomethyl)-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide;hydrochloride
CID 119339674
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795652
4-[[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylamino]methyl]benzoic acid
CID 122031979

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide (CID 120936172) is (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(OCC2CCCO2)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is VHRBGEVUNABNQR-ZRFIFAGDSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13-5-6-15(17(10-13)25-12-16-4-3-8-24-16)11-21-19(22)18-14(2)23-9-7-20-18/h5-6,10,14,16,18,20H,3-4,7-9,11-12H2,1-2H3,(H,21,22)/t14-,16?,18+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120936172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).