3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C15H28N2O2 — CID 106204251

IUPAC3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(OCCC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-15(14(16)18)8-3-4-13(10-15)19-9-7-12-5-6-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyQJSWKOCKDWFZFU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds7

About 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide

3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 106204251) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID106204251
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(OCCC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)17-15(14(16)18)8-3-4-13(10-15)19-9-7-12-5-6-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyQJSWKOCKDWFZFU-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
3-(2-cyclobutylethoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 114157865
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
3-(cyclopentylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653895
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
1-(propan-2-ylamino)-3-(2-propan-2-yloxyethoxy)cyclohexane-1-carboxylic acid
CID 79637327

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 106204251) is 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC(OCCC2CC2)C1.
What is the InChIKey of 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is QJSWKOCKDWFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)17-15(14(16)18)8-3-4-13(10-15)19-9-7-12-5-6-12/h11-13,17H,3-10H2,1-2H3,(H2,16,18).
What are the key properties of 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 106204251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).