3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide

C19H34N2O2 — CID 2931892

IUPAC3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C19H34N2O2/c22-18(12-10-16-6-1-2-7-16)20-14-5-15-21-19(23)13-11-17-8-3-4-9-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyRAPKZXLPBNNBNG-UHFFFAOYSA-N
MW322.49 g/mol
LogP3.55
Rot. Bonds10

About 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide

3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide (PubChem CID 2931892) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide
PubChem CID2931892
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C19H34N2O2/c22-18(12-10-16-6-1-2-7-16)20-14-5-15-21-19(23)13-11-17-8-3-4-9-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyRAPKZXLPBNNBNG-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide (CID 2931892) is 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide is O=C(CCC1CCCC1)NCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide?
The InChIKey is RAPKZXLPBNNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c22-18(12-10-16-6-1-2-7-16)20-14-5-15-21-19(23)13-11-17-8-3-4-9-17/h16-17H,1-15H2,(H,20,22)(H,21,23).
What are the key properties of 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide?
3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide has a molecular weight of 322.49 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(3-cyclopentylpropanoylamino)propyl]propanamide is sourced from PubChem (CID 2931892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).