N-[3-(dibutylamino)propyl]prop-2-enamide

C14H28N2O — CID 10421785

IUPACN-[3-(dibutylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-4-7-11-16(12-8-5-2)13-9-10-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17)
InChIKeyFTAKXNJGMZSLSJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.58
Rot. Bonds11

About N-[3-(dibutylamino)propyl]prop-2-enamide

N-[3-(dibutylamino)propyl]prop-2-enamide (PubChem CID 10421785) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[3-(dibutylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dibutylamino)propyl]prop-2-enamide
PubChem CID10421785
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[3-(dibutylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(CCCC)CCCC
InChIInChI=1S/C14H28N2O/c1-4-7-11-16(12-8-5-2)13-9-10-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17)
InChIKeyFTAKXNJGMZSLSJ-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibutylamino)propyl]prop-2-enamide?
The IUPAC name of N-[3-(dibutylamino)propyl]prop-2-enamide (CID 10421785) is N-[3-(dibutylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(dibutylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(dibutylamino)propyl]prop-2-enamide is C=CC(=O)NCCCN(CCCC)CCCC.
What is the InChIKey of N-[3-(dibutylamino)propyl]prop-2-enamide?
The InChIKey is FTAKXNJGMZSLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-7-11-16(12-8-5-2)13-9-10-15-14(17)6-3/h6H,3-5,7-13H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(dibutylamino)propyl]prop-2-enamide?
N-[3-(dibutylamino)propyl]prop-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibutylamino)propyl]prop-2-enamide is sourced from PubChem (CID 10421785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).