N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide

C12H23NO2 — CID 103772022

IUPACN-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
SMILESCCCC(CCO)CNC(=O)C=C(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-11(6-7-14)9-13-12(15)8-10(2)3/h8,11,14H,4-7,9H2,1-3H3,(H,13,15)
InChIKeySDRXZAQQNMGXBX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide

N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide (PubChem CID 103772022) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
PubChem CID103772022
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide
SMILESCCCC(CCO)CNC(=O)C=C(C)C
InChIInChI=1S/C12H23NO2/c1-4-5-11(6-7-14)9-13-12(15)8-10(2)3/h8,11,14H,4-7,9H2,1-3H3,(H,13,15)
InChIKeySDRXZAQQNMGXBX-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
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-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide (CID 103772022) is N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide is CCCC(CCO)CNC(=O)C=C(C)C.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide?
The InChIKey is SDRXZAQQNMGXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-11(6-7-14)9-13-12(15)8-10(2)3/h8,11,14H,4-7,9H2,1-3H3,(H,13,15).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide?
N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-3-methylbut-2-enamide is sourced from PubChem (CID 103772022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).