N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide

C14H26N2O3 — CID 175163441

IUPACN-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide
SMILESC=CC(=O)NCCO.CCCC=C(CCC)C(N)=O
InChIInChI=1S/C9H17NO.C5H9NO2/c1-3-5-7-8(6-4-2)9(10)11;1-2-5(8)6-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11);2,7H,1,3-4H2,(H,6,8)
InChIKeyKPDIWPSWPREIEB-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.28
Rot. Bonds8

About N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide

N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide (PubChem CID 175163441) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide
PubChem CID175163441
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide
SMILESC=CC(=O)NCCO.CCCC=C(CCC)C(N)=O
InChIInChI=1S/C9H17NO.C5H9NO2/c1-3-5-7-8(6-4-2)9(10)11;1-2-5(8)6-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11);2,7H,1,3-4H2,(H,6,8)
InChIKeyKPDIWPSWPREIEB-UHFFFAOYSA-N
XLogP1.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide (CID 175163441) is N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide is C=CC(=O)NCCO.CCCC=C(CCC)C(N)=O.
What is the InChIKey of N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide?
The InChIKey is KPDIWPSWPREIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C5H9NO2/c1-3-5-7-8(6-4-2)9(10)11;1-2-5(8)6-3-4-7/h7H,3-6H2,1-2H3,(H2,10,11);2,7H,1,3-4H2,(H,6,8).
What are the key properties of N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide?
N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide has a molecular weight of 270.37 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)prop-2-enamide;2-propylhex-2-enamide is sourced from PubChem (CID 175163441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).