2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide

C21H32N2O4 — CID 139815990

IUPAC2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(C)(c2ccc(OC)c(OC3CCCCC3)c2)C1
InChIInChI=1S/C21H32N2O4/c1-4-22-20(24)23-12-13-26-21(2,15-23)16-10-11-18(25-3)19(14-16)27-17-8-6-5-7-9-17/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,22,24)
InChIKeyUTGURIQODRXNCE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.68
Rot. Bonds5

About 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide

2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide (PubChem CID 139815990) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide
PubChem CID139815990
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide
SMILESCCNC(=O)N1CCOC(C)(c2ccc(OC)c(OC3CCCCC3)c2)C1
InChIInChI=1S/C21H32N2O4/c1-4-22-20(24)23-12-13-26-21(2,15-23)16-10-11-18(25-3)19(14-16)27-17-8-6-5-7-9-17/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,22,24)
InChIKeyUTGURIQODRXNCE-UHFFFAOYSA-N
XLogP3.68
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-3-ene-9-carboxamide
CID 91434651
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
methyl 1-[N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111254517
N-butyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-9-carboxamide
CID 57434215
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 78892218
N-benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxamide
CID 11568609
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazol-5-yl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91432284
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-2H-1,2-oxazole-5-carbonyl]piperidin-4-one
CID 91203231
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(hydroxymethyl)cyclobutan-1-one
CID 23298807
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide?
The IUPAC name of 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide (CID 139815990) is 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide?
The canonical SMILES for 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide is CCNC(=O)N1CCOC(C)(c2ccc(OC)c(OC3CCCCC3)c2)C1.
What is the InChIKey of 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide?
The InChIKey is UTGURIQODRXNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-4-22-20(24)23-12-13-26-21(2,15-23)16-10-11-18(25-3)19(14-16)27-17-8-6-5-7-9-17/h10-11,14,17H,4-9,12-13,15H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide?
2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxy-4-methoxyphenyl)-N-ethyl-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 139815990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).