(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide

C17H23ClN2O2 — CID 120930587

IUPAC(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-15(19-9-10-22-12)16(21)20-11-17(7-2-8-17)13-3-5-14(18)6-4-13/h3-6,12,15,19H,2,7-11H2,1H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyBOHZFHGXSZSIOY-DOMZBBRYSA-N
MW322.84 g/mol
LogP2.25
Rot. Bonds4

About (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120930587) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120930587
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-15(19-9-10-22-12)16(21)20-11-17(7-2-8-17)13-3-5-14(18)6-4-13/h3-6,12,15,19H,2,7-11H2,1H3,(H,20,21)/t12-,15+/m1/s1
InChIKeyBOHZFHGXSZSIOY-DOMZBBRYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920621
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
(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
(2R,3S)-N-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927859
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119769970
(2R,3S)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927495
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
(2R,3S)-N-[2-(4-chlorophenoxy)propyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935200
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
CID 120937497

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120930587) is (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is BOHZFHGXSZSIOY-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-15(19-9-10-22-12)16(21)20-11-17(7-2-8-17)13-3-5-14(18)6-4-13/h3-6,12,15,19H,2,7-11H2,1H3,(H,20,21)/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120930587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).