(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide

C17H26N2O3 — CID 120925723

IUPAC(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C17H26N2O3/c1-3-9-21-12-15-7-5-4-6-14(15)11-19-17(20)16-13(2)22-10-8-18-16/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyXFYPIFLRUSUBMR-CJNGLKHVSA-N
MW306.41 g/mol
LogP1.61
Rot. Bonds7

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

(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 120925723) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID120925723
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C17H26N2O3/c1-3-9-21-12-15-7-5-4-6-14(15)11-19-17(20)16-13(2)22-10-8-18-16/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyXFYPIFLRUSUBMR-CJNGLKHVSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide (CID 120925723) is (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide is CCCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is XFYPIFLRUSUBMR-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-9-21-12-15-7-5-4-6-14(15)11-19-17(20)16-13(2)22-10-8-18-16/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20)/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120925723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).