N,N-dibutylbut-3-enamide

C12H23NO — CID 15984652

IUPACN,N-dibutylbut-3-enamide
SMILESC=CCC(=O)N(CCCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyDECBTWHNXADZBM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds8

About N,N-dibutylbut-3-enamide

N,N-dibutylbut-3-enamide (PubChem CID 15984652) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N,N-dibutylbut-3-enamide.

Molecular Properties

Compound NameN,N-dibutylbut-3-enamide
PubChem CID15984652
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN,N-dibutylbut-3-enamide
SMILESC=CCC(=O)N(CCCC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyDECBTWHNXADZBM-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbut-3-enamide?
The IUPAC name of N,N-dibutylbut-3-enamide (CID 15984652) is N,N-dibutylbut-3-enamide.
What is the SMILES notation for N,N-dibutylbut-3-enamide?
The canonical SMILES for N,N-dibutylbut-3-enamide is C=CCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylbut-3-enamide?
The InChIKey is DECBTWHNXADZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h6H,3-5,7-11H2,1-2H3.
What are the key properties of N,N-dibutylbut-3-enamide?
N,N-dibutylbut-3-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbut-3-enamide is sourced from PubChem (CID 15984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).