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

C12H23NO3 — CID 20519153

IUPACN,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCO)CCCCO
InChIInChI=1S/C12H23NO3/c1-11(2)12(16)13(7-3-5-9-14)8-4-6-10-15/h14-15H,1,3-10H2,2H3
InChIKeyKYZNXRSNAWITQA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds9

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

N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide (PubChem CID 20519153) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide
PubChem CID20519153
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCCO)CCCCO
InChIInChI=1S/C12H23NO3/c1-11(2)12(16)13(7-3-5-9-14)8-4-6-10-15/h14-15H,1,3-10H2,2H3
InChIKeyKYZNXRSNAWITQA-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.94
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)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide (CID 20519153) is N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCCO)CCCCO.
What is the InChIKey of N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide?
The InChIKey is KYZNXRSNAWITQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)12(16)13(7-3-5-9-14)8-4-6-10-15/h14-15H,1,3-10H2,2H3.
What are the key properties of N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide?
N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 0.94, 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)-2-methylprop-2-enamide is sourced from PubChem (CID 20519153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).