2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide

C13H19NO3 — CID 78916927

IUPAC2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-14(8-5-9-17-2)13(16)10-11-6-3-4-7-12(11)15/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyRTBWDEHPRIDWQS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.43
Rot. Bonds6

About 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide

2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide (PubChem CID 78916927) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide
PubChem CID78916927
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-14(8-5-9-17-2)13(16)10-11-6-3-4-7-12(11)15/h3-4,6-7,15H,5,8-10H2,1-2H3
InChIKeyRTBWDEHPRIDWQS-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide (CID 78916927) is 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide is COCCCN(C)C(=O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide?
The InChIKey is RTBWDEHPRIDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14(8-5-9-17-2)13(16)10-11-6-3-4-7-12(11)15/h3-4,6-7,15H,5,8-10H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide?
2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 78916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).