4-(butanoylamino)-N-propylbutanamide

C11H22N2O2 — CID 3067794

IUPAC4-(butanoylamino)-N-propylbutanamide
SMILESCCCNC(=O)CCCNC(=O)CCC
InChIInChI=1S/C11H22N2O2/c1-3-6-10(14)13-9-5-7-11(15)12-8-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyJYOTXBAJAWKNEI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.21
Rot. Bonds8

About 4-(butanoylamino)-N-propylbutanamide

4-(butanoylamino)-N-propylbutanamide (PubChem CID 3067794) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(butanoylamino)-N-propylbutanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-propylbutanamide
PubChem CID3067794
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(butanoylamino)-N-propylbutanamide
SMILESCCCNC(=O)CCCNC(=O)CCC
InChIInChI=1S/C11H22N2O2/c1-3-6-10(14)13-9-5-7-11(15)12-8-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyJYOTXBAJAWKNEI-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.21
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 4-(butanoylamino)-N-propylbutanamide?
The IUPAC name of 4-(butanoylamino)-N-propylbutanamide (CID 3067794) is 4-(butanoylamino)-N-propylbutanamide.
What is the SMILES notation for 4-(butanoylamino)-N-propylbutanamide?
The canonical SMILES for 4-(butanoylamino)-N-propylbutanamide is CCCNC(=O)CCCNC(=O)CCC.
What is the InChIKey of 4-(butanoylamino)-N-propylbutanamide?
The InChIKey is JYOTXBAJAWKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-10(14)13-9-5-7-11(15)12-8-4-2/h3-9H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-(butanoylamino)-N-propylbutanamide?
4-(butanoylamino)-N-propylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-propylbutanamide is sourced from PubChem (CID 3067794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).