(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride

C15H29ClN2O3 — CID 120937472

IUPAC(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)[C@H]2NCCO[C@@H]2C)CC1OC.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-5-15(6-2)11(9-12(15)19-4)17-14(18)13-10(3)20-8-7-16-13;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H/t10-,11?,12?,13+;/m1./s1
InChIKeyCAPMANVHMRGEQT-LZPJUUIGSA-N
MW320.86 g/mol
LogP1.50
Rot. Bonds5

About (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120937472) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120937472
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCC1(CC)C(NC(=O)[C@H]2NCCO[C@@H]2C)CC1OC.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-5-15(6-2)11(9-12(15)19-4)17-14(18)13-10(3)20-8-7-16-13;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H/t10-,11?,12?,13+;/m1./s1
InChIKeyCAPMANVHMRGEQT-LZPJUUIGSA-N
XLogP1.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935270
(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
CID 120934010
(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide
CID 125146580
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
N-(2,2-diethyl-3-methoxycyclobutyl)piperidine-4-carboxamide
CID 119345392
N-(2,2-diethyl-3-methoxycyclobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119821955
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
CID 120922192
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
CID 119821940

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120937472) is (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride is CCC1(CC)C(NC(=O)[C@H]2NCCO[C@@H]2C)CC1OC.Cl.
What is the InChIKey of (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is CAPMANVHMRGEQT-LZPJUUIGSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-5-15(6-2)11(9-12(15)19-4)17-14(18)13-10(3)20-8-7-16-13;/h10-13,16H,5-9H2,1-4H3,(H,17,18);1H/t10-,11?,12?,13+;/m1./s1.
What are the key properties of (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120937472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).