3-(butanoylamino)-N-butylbutanamide

C12H24N2O2 — CID 3067809

IUPAC3-(butanoylamino)-N-butylbutanamide
SMILESCCCCNC(=O)CC(C)NC(=O)CCC
InChIInChI=1S/C12H24N2O2/c1-4-6-8-13-12(16)9-10(3)14-11(15)7-5-2/h10H,4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRWZHNOUREISRTF-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.60
Rot. Bonds8

About 3-(butanoylamino)-N-butylbutanamide

3-(butanoylamino)-N-butylbutanamide (PubChem CID 3067809) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(butanoylamino)-N-butylbutanamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-butylbutanamide
PubChem CID3067809
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(butanoylamino)-N-butylbutanamide
SMILESCCCCNC(=O)CC(C)NC(=O)CCC
InChIInChI=1S/C12H24N2O2/c1-4-6-8-13-12(16)9-10(3)14-11(15)7-5-2/h10H,4-9H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyRWZHNOUREISRTF-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.60
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-(butanoylamino)-N-butylbutanamide?
The IUPAC name of 3-(butanoylamino)-N-butylbutanamide (CID 3067809) is 3-(butanoylamino)-N-butylbutanamide.
What is the SMILES notation for 3-(butanoylamino)-N-butylbutanamide?
The canonical SMILES for 3-(butanoylamino)-N-butylbutanamide is CCCCNC(=O)CC(C)NC(=O)CCC.
What is the InChIKey of 3-(butanoylamino)-N-butylbutanamide?
The InChIKey is RWZHNOUREISRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-8-13-12(16)9-10(3)14-11(15)7-5-2/h10H,4-9H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-(butanoylamino)-N-butylbutanamide?
3-(butanoylamino)-N-butylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-butylbutanamide is sourced from PubChem (CID 3067809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).