3-(3-methylpentoxy)-N-pentylpropanamide

C14H29NO2 — CID 59435481

IUPAC3-(3-methylpentoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCOCCC(C)CC
InChIInChI=1S/C14H29NO2/c1-4-6-7-10-15-14(16)9-12-17-11-8-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyZOUJHFMSSFODPC-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.14
Rot. Bonds11

About 3-(3-methylpentoxy)-N-pentylpropanamide

3-(3-methylpentoxy)-N-pentylpropanamide (PubChem CID 59435481) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3-methylpentoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(3-methylpentoxy)-N-pentylpropanamide
PubChem CID59435481
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-(3-methylpentoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCOCCC(C)CC
InChIInChI=1S/C14H29NO2/c1-4-6-7-10-15-14(16)9-12-17-11-8-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyZOUJHFMSSFODPC-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-methylpentoxy)-N-pentylpropanamide 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-(3-methylpentoxy)-N-pentylpropanamide?
The IUPAC name of 3-(3-methylpentoxy)-N-pentylpropanamide (CID 59435481) is 3-(3-methylpentoxy)-N-pentylpropanamide.
What is the SMILES notation for 3-(3-methylpentoxy)-N-pentylpropanamide?
The canonical SMILES for 3-(3-methylpentoxy)-N-pentylpropanamide is CCCCCNC(=O)CCOCCC(C)CC.
What is the InChIKey of 3-(3-methylpentoxy)-N-pentylpropanamide?
The InChIKey is ZOUJHFMSSFODPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-7-10-15-14(16)9-12-17-11-8-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-methylpentoxy)-N-pentylpropanamide?
3-(3-methylpentoxy)-N-pentylpropanamide has a molecular weight of 243.39 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentoxy)-N-pentylpropanamide is sourced from PubChem (CID 59435481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).