(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C19H29ClN2O3 — CID 120927495

IUPAC(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14-17(20-11-12-24-14)18(22)21-13-19(9-5-6-10-19)15-7-3-4-8-16(15)23-2;/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3,(H,21,22);1H/t14-,17+;/m1./s1
InChIKeyIFCCJMJLFHIJOY-CVLQQERVSA-N
MW368.91 g/mol
LogP2.42
Rot. Bonds5

About (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120927495) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120927495
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccccc1C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CCCC1.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-14-17(20-11-12-24-14)18(22)21-13-19(9-5-6-10-19)15-7-3-4-8-16(15)23-2;/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3,(H,21,22);1H/t14-,17+;/m1./s1
InChIKeyIFCCJMJLFHIJOY-CVLQQERVSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920621
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119302310
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937945
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
CID 110477745
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120927495) is (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is COc1ccccc1C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CCCC1.Cl.
What is the InChIKey of (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is IFCCJMJLFHIJOY-CVLQQERVSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-14-17(20-11-12-24-14)18(22)21-13-19(9-5-6-10-19)15-7-3-4-8-16(15)23-2;/h3-4,7-8,14,17,20H,5-6,9-13H2,1-2H3,(H,21,22);1H/t14-,17+;/m1./s1.
What are the key properties of (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120927495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).