N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide

C25H47N3O5 — CID 173437845

IUPACN,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide
SMILESC=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)CCCC.NC(=O)C(=CCCO)CCO
InChIInChI=1S/C11H21NO.C7H13NO3.C7H13NO/c1-4-7-9-12(10-8-5-2)11(13)6-3;8-7(11)6(3-5-10)2-1-4-9;1-4-7(9)8(5-2)6-3/h6H,3-5,7-10H2,1-2H3;2,9-10H,1,3-5H2,(H2,8,11);4H,1,5-6H2,2-3H3
InChIKeyARDROXPWJIPZEA-UHFFFAOYSA-N
MW469.67 g/mol
LogP2.80
Rot. Bonds15

About N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide

N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide (PubChem CID 173437845) has the molecular formula C25H47N3O5 and a molecular weight of 469.67 g/mol. Its IUPAC name is N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide.

Molecular Properties

Compound NameN,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide
PubChem CID173437845
Molecular FormulaC25H47N3O5
Molecular Weight469.67 g/mol
Exact Mass469.35
IUPAC NameN,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide
SMILESC=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)CCCC.NC(=O)C(=CCCO)CCO
InChIInChI=1S/C11H21NO.C7H13NO3.C7H13NO/c1-4-7-9-12(10-8-5-2)11(13)6-3;8-7(11)6(3-5-10)2-1-4-9;1-4-7(9)8(5-2)6-3/h6H,3-5,7-10H2,1-2H3;2,9-10H,1,3-5H2,(H2,8,11);4H,1,5-6H2,2-3H3
InChIKeyARDROXPWJIPZEA-UHFFFAOYSA-N
XLogP2.80
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.67
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide?
The IUPAC name of N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide (CID 173437845) is N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide.
What is the SMILES notation for N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide?
The canonical SMILES for N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide is C=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)CCCC.NC(=O)C(=CCCO)CCO.
What is the InChIKey of N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide?
The InChIKey is ARDROXPWJIPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C7H13NO3.C7H13NO/c1-4-7-9-12(10-8-5-2)11(13)6-3;8-7(11)6(3-5-10)2-1-4-9;1-4-7(9)8(5-2)6-3/h6H,3-5,7-10H2,1-2H3;2,9-10H,1,3-5H2,(H2,8,11);4H,1,5-6H2,2-3H3.
What are the key properties of N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide?
N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide has a molecular weight of 469.67 g/mol, XLogP of 2.80, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylprop-2-enamide;N,N-diethylprop-2-enamide;5-hydroxy-2-(2-hydroxyethyl)pent-2-enamide is sourced from PubChem (CID 173437845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).