N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide

C11H21NO2 — CID 142644638

IUPACN-[2-(1-hydroxyethyl)hexyl]prop-2-enamide
SMILESC=CC(=O)NCC(CCCC)C(C)O
InChIInChI=1S/C11H21NO2/c1-4-6-7-10(9(3)13)8-12-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyBWQCNFSFJBZSOP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds7

About N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide

N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide (PubChem CID 142644638) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)hexyl]prop-2-enamide
PubChem CID142644638
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[2-(1-hydroxyethyl)hexyl]prop-2-enamide
SMILESC=CC(=O)NCC(CCCC)C(C)O
InChIInChI=1S/C11H21NO2/c1-4-6-7-10(9(3)13)8-12-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyBWQCNFSFJBZSOP-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-(1-hydroxyethyl)hexyl]prop-2-enamide?
The IUPAC name of N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide (CID 142644638) is N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide is C=CC(=O)NCC(CCCC)C(C)O.
What is the InChIKey of N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide?
The InChIKey is BWQCNFSFJBZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-7-10(9(3)13)8-12-11(14)5-2/h5,9-10,13H,2,4,6-8H2,1,3H3,(H,12,14).
What are the key properties of N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide?
N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide is sourced from PubChem (CID 142644638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).