N,N-bis(4-hydroxybutyl)prop-2-enamide

C11H21NO3 — CID 20519151

IUPACN,N-bis(4-hydroxybutyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCO)CCCCO
InChIInChI=1S/C11H21NO3/c1-2-11(15)12(7-3-5-9-13)8-4-6-10-14/h2,13-14H,1,3-10H2
InChIKeyDPHRDJZDOJYKED-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds9

About N,N-bis(4-hydroxybutyl)prop-2-enamide

N,N-bis(4-hydroxybutyl)prop-2-enamide (PubChem CID 20519151) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N,N-bis(4-hydroxybutyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(4-hydroxybutyl)prop-2-enamide
PubChem CID20519151
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN,N-bis(4-hydroxybutyl)prop-2-enamide
SMILESC=CC(=O)N(CCCCO)CCCCO
InChIInChI=1S/C11H21NO3/c1-2-11(15)12(7-3-5-9-13)8-4-6-10-14/h2,13-14H,1,3-10H2
InChIKeyDPHRDJZDOJYKED-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-bis(4-hydroxybutyl)prop-2-enamide?
The IUPAC name of N,N-bis(4-hydroxybutyl)prop-2-enamide (CID 20519151) is N,N-bis(4-hydroxybutyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(4-hydroxybutyl)prop-2-enamide?
The canonical SMILES for N,N-bis(4-hydroxybutyl)prop-2-enamide is C=CC(=O)N(CCCCO)CCCCO.
What is the InChIKey of N,N-bis(4-hydroxybutyl)prop-2-enamide?
The InChIKey is DPHRDJZDOJYKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-11(15)12(7-3-5-9-13)8-4-6-10-14/h2,13-14H,1,3-10H2.
What are the key properties of N,N-bis(4-hydroxybutyl)prop-2-enamide?
N,N-bis(4-hydroxybutyl)prop-2-enamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-hydroxybutyl)prop-2-enamide is sourced from PubChem (CID 20519151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).