N,N-dibutylpent-2-enamide

C13H25NO — CID 154390041

IUPACN,N-dibutylpent-2-enamide
SMILESCCC=CC(=O)N(CCCC)CCCC
InChIInChI=1S/C13H25NO/c1-4-7-10-13(15)14(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3
InChIKeyBNPOWUJWEMIKII-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.38
Rot. Bonds8

About N,N-dibutylpent-2-enamide

N,N-dibutylpent-2-enamide (PubChem CID 154390041) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N,N-dibutylpent-2-enamide.

Molecular Properties

Compound NameN,N-dibutylpent-2-enamide
PubChem CID154390041
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN,N-dibutylpent-2-enamide
SMILESCCC=CC(=O)N(CCCC)CCCC
InChIInChI=1S/C13H25NO/c1-4-7-10-13(15)14(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3
InChIKeyBNPOWUJWEMIKII-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
2-oxo-N,N-dipentylacetamide
CID 173270633
(Z)-4-(dioctadecylamino)-4-oxobut-2-enoic acid
CID 88519286
N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
CID 91044553
hexane;hex-3-en-2-one
CID 159035878
(E)-N,N-dimethylpent-2-enamide;ethane
CID 162375612
N-ethyl-N-propyldec-2-enamide
CID 123659477
(Z)-4-[decyl(2-hydroxyethyl)amino]-4-oxobut-2-enoic acid
CID 18527110
(3E,5Z)-N-butyl-N-ethyl-2-methylocta-3,5-dien-4-amine
CID 134365055
(E)-N,N-dipropylbut-2-enamide
CID 21329403
(E)-N,N-dibutyl-3-(4-tert-butylphenyl)prop-2-enamide
CID 6163313
(E)-N,N-dibutyl-3-(2,6-dichlorophenyl)prop-2-enamide
CID 6076120

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylpent-2-enamide?
The IUPAC name of N,N-dibutylpent-2-enamide (CID 154390041) is N,N-dibutylpent-2-enamide.
What is the SMILES notation for N,N-dibutylpent-2-enamide?
The canonical SMILES for N,N-dibutylpent-2-enamide is CCC=CC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylpent-2-enamide?
The InChIKey is BNPOWUJWEMIKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-10-13(15)14(11-8-5-2)12-9-6-3/h7,10H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of N,N-dibutylpent-2-enamide?
N,N-dibutylpent-2-enamide has a molecular weight of 211.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylpent-2-enamide is sourced from PubChem (CID 154390041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).