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

C14H28N2O2 — CID 79637341

IUPAC3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCCCOC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-9-18-12-7-6-8-14(10-12,13(15)17)16-11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyNCSAPTADSVHFAM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.97
Rot. Bonds7

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

3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 79637341) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID79637341
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCCCCOC1CCCC(NC(C)C)(C(N)=O)C1
InChIInChI=1S/C14H28N2O2/c1-4-5-9-18-12-7-6-8-14(10-12,13(15)17)16-11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17)
InChIKeyNCSAPTADSVHFAM-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butoxy-1-(propan-2-ylamino)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-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
1-(propan-2-ylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79638252
3-(2-cyclopropylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 106204251
3-(4-methylpentoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649432
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
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
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 103489882
3-heptoxy-1-(methylamino)cyclopentane-1-carboxamide
CID 79648653
1-(ethylamino)-3-(2-propoxyethoxy)cyclohexane-1-carboxamide
CID 79637126
3-(3,3-dimethylbutoxy)-1-(propylamino)cyclohexane-1-carboxamide
CID 79637723

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 79637341) is 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CCCCOC1CCCC(NC(C)C)(C(N)=O)C1.
What is the InChIKey of 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is NCSAPTADSVHFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-5-9-18-12-7-6-8-14(10-12,13(15)17)16-11(2)3/h11-12,16H,4-10H2,1-3H3,(H2,15,17).
What are the key properties of 3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 256.39 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-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79637341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).