4-(butanoylamino)-N,N-dipropylbutanamide

C14H28N2O2 — CID 3067792

IUPAC4-(butanoylamino)-N,N-dipropylbutanamide
SMILESCCCC(=O)NCCCC(=O)N(CCC)CCC
InChIInChI=1S/C14H28N2O2/c1-4-8-13(17)15-10-7-9-14(18)16(11-5-2)12-6-3/h4-12H2,1-3H3,(H,15,17)
InChIKeyUEUOROXPOFJLTN-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.33
Rot. Bonds10

About 4-(butanoylamino)-N,N-dipropylbutanamide

4-(butanoylamino)-N,N-dipropylbutanamide (PubChem CID 3067792) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(butanoylamino)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N,N-dipropylbutanamide
PubChem CID3067792
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(butanoylamino)-N,N-dipropylbutanamide
SMILESCCCC(=O)NCCCC(=O)N(CCC)CCC
InChIInChI=1S/C14H28N2O2/c1-4-8-13(17)15-10-7-9-14(18)16(11-5-2)12-6-3/h4-12H2,1-3H3,(H,15,17)
InChIKeyUEUOROXPOFJLTN-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
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,N-dipropylbutanamide?
The IUPAC name of 4-(butanoylamino)-N,N-dipropylbutanamide (CID 3067792) is 4-(butanoylamino)-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(butanoylamino)-N,N-dipropylbutanamide?
The canonical SMILES for 4-(butanoylamino)-N,N-dipropylbutanamide is CCCC(=O)NCCCC(=O)N(CCC)CCC.
What is the InChIKey of 4-(butanoylamino)-N,N-dipropylbutanamide?
The InChIKey is UEUOROXPOFJLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-8-13(17)15-10-7-9-14(18)16(11-5-2)12-6-3/h4-12H2,1-3H3,(H,15,17).
What are the key properties of 4-(butanoylamino)-N,N-dipropylbutanamide?
4-(butanoylamino)-N,N-dipropylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N,N-dipropylbutanamide is sourced from PubChem (CID 3067792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).