3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide

C16H32N2O2 — CID 79637723

IUPAC3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(OCCC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-10-18-16(14(17)19)8-6-7-13(12-16)20-11-9-15(2,3)4/h13,18H,5-12H2,1-4H3,(H2,17,19)
InChIKeyWWENKCWCNXJOEQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.61
Rot. Bonds7

About 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide

3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide (PubChem CID 79637723) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
PubChem CID79637723
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC(OCCC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-10-18-16(14(17)19)8-6-7-13(12-16)20-11-9-15(2,3)4/h13,18H,5-12H2,1-4H3,(H2,17,19)
InChIKeyWWENKCWCNXJOEQ-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653496
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709
3-(2-methylbutan-2-yloxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637925
ethyl 3-(3,3-dimethylbutoxy)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79635563
ethyl 3-(2-cyclopropylethoxy)-1-(propylamino)cyclohexane-1-carboxylate
CID 106204218
1-amino-3-(3,3-dimethylbutoxy)cyclohexane-1-carboxamide
CID 79637274
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide (CID 79637723) is 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide is CCCNC1(C(N)=O)CCCC(OCCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide?
The InChIKey is WWENKCWCNXJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-10-18-16(14(17)19)8-6-7-13(12-16)20-11-9-15(2,3)4/h13,18H,5-12H2,1-4H3,(H2,17,19).
What are the key properties of 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide?
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).