3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

C15H29N3O3 — CID 103538166

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H29N3O3/c1-4-17-15(14(16)19)7-5-6-11(8-15)18-9-12(20-2)13(10-18)21-3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyFQEQUODAPDVUJK-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.11
Rot. Bonds6

About 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (PubChem CID 103538166) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
PubChem CID103538166
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H29N3O3/c1-4-17-15(14(16)19)7-5-6-11(8-15)18-9-12(20-2)13(10-18)21-3/h11-13,17H,4-10H2,1-3H3,(H2,16,19)
InChIKeyFQEQUODAPDVUJK-UHFFFAOYSA-N
XLogP0.11
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 103538200
3-(4-cyclopropylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79628200
1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexane-1-carboxamide
CID 79641984
3-(3,4-dimethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79641656
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
methyl 3-(azocan-1-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79628664
1-(ethylamino)-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79651425
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclopentane-1-carboxamide
CID 79644633
3-(azocan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79628661
3-(4-ethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626289
methyl 1-(ethylamino)-3-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylate
CID 79641407
3-(4-chloro-3-methylpyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide
CID 79637681

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide (CID 103538166) is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
The InChIKey is FQEQUODAPDVUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-17-15(14(16)19)7-5-6-11(8-15)18-9-12(20-2)13(10-18)21-3/h11-13,17H,4-10H2,1-3H3,(H2,16,19).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide?
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 103538166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).