3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide

C18H35NO3 — CID 166008004

IUPAC3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(OCCCC(C)(C)C)C1
InChIInChI=1S/C18H35NO3/c1-14(2)21-11-7-9-19-17(20)15-12-16(13-15)22-10-6-8-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,20)
InChIKeyBMAZDBCOPAPDNS-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.54
Rot. Bonds10

About 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide

3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide (PubChem CID 166008004) has the molecular formula C18H35NO3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide
PubChem CID166008004
Molecular FormulaC18H35NO3
Molecular Weight313.48 g/mol
Exact Mass313.26
IUPAC Name3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide
SMILESCC(C)OCCCNC(=O)C1CC(OCCCC(C)(C)C)C1
InChIInChI=1S/C18H35NO3/c1-14(2)21-11-7-9-19-17(20)15-12-16(13-15)22-10-6-8-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,20)
InChIKeyBMAZDBCOPAPDNS-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-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

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide (CID 166008004) is 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide is CC(C)OCCCNC(=O)C1CC(OCCCC(C)(C)C)C1.
What is the InChIKey of 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide?
The InChIKey is BMAZDBCOPAPDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3/c1-14(2)21-11-7-9-19-17(20)15-12-16(13-15)22-10-6-8-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,20).
What are the key properties of 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide?
3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide has a molecular weight of 313.48 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentoxy)-N-(3-propan-2-yloxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166008004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).