3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C16H31N3O2 — CID 79626631

IUPAC3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCC1COCCN1C1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C16H31N3O2/c1-4-13-11-21-9-8-19(13)14-6-5-7-16(10-14,15(17)20)18-12(2)3/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyQMJCVNFQUZVGDV-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.26
Rot. Bonds5

About 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 79626631) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID79626631
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCC1COCCN1C1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C16H31N3O2/c1-4-13-11-21-9-8-19(13)14-6-5-7-16(10-14,15(17)20)18-12(2)3/h12-14,18H,4-11H2,1-3H3,(H2,17,20)
InChIKeyQMJCVNFQUZVGDV-UHFFFAOYSA-N
XLogP1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79645895
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637102
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79645896
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636456
ethyl 3-(2-ethylpyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxylate
CID 79636182
ethane;3-ethyl-4-(oxetan-3-yl)morpholine
CID 177200740
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626764
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 79626631) is 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CCC1COCCN1C1CCCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is QMJCVNFQUZVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-13-11-21-9-8-19(13)14-6-5-7-16(10-14,15(17)20)18-12(2)3/h12-14,18H,4-11H2,1-3H3,(H2,17,20).
What are the key properties of 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79626631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).