N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide

C10H13NO2 — CID 11446673

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide
SMILESCN(C=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-11(8-12)7-6-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyDVQFZUWVKFGZFY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide

N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide (PubChem CID 11446673) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide
PubChem CID11446673
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide
SMILESCN(C=O)CCc1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-11(8-12)7-6-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7H2,1H3
InChIKeyDVQFZUWVKFGZFY-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide (CID 11446673) is N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide is CN(C=O)CCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide?
The InChIKey is DVQFZUWVKFGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11(8-12)7-6-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide?
N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide has a molecular weight of 179.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N-methylformamide is sourced from PubChem (CID 11446673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).