(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide

C17H26N2O3 — CID 120923306

IUPAC(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O3/c1-4-10-22-15-7-5-14(6-8-15)12(2)19-17(20)16-13(3)21-11-9-18-16/h5-8,12-13,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12?,13-,16+/m1/s1
InChIKeyOQJTYSXYSXFBPS-QVNUIZJESA-N
MW306.41 g/mol
LogP2.03
Rot. Bonds6

About (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide (PubChem CID 120923306) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
PubChem CID120923306
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1
InChIInChI=1S/C17H26N2O3/c1-4-10-22-15-7-5-14(6-8-15)12(2)19-17(20)16-13(3)21-11-9-18-16/h5-8,12-13,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12?,13-,16+/m1/s1
InChIKeyOQJTYSXYSXFBPS-QVNUIZJESA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
(2R,3S)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120919058
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925471
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
(2R,3S)-N-(4-butan-2-yloxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120926448
(2R,3S)-2-methyl-N-[2-(4-methylphenoxy)propyl]morpholine-3-carboxamide
CID 120924570
(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933721

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide (CID 120923306) is (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide is CCCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1.
What is the InChIKey of (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide?
The InChIKey is OQJTYSXYSXFBPS-QVNUIZJESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-10-22-15-7-5-14(6-8-15)12(2)19-17(20)16-13(3)21-11-9-18-16/h5-8,12-13,16,18H,4,9-11H2,1-3H3,(H,19,20)/t12?,13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.03, 6 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-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120923306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).