N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide

C13H19NO3 — CID 62716161

IUPACN-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-9-17-10-8-13(16)14(2)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyGLYPFMWRTXQNCG-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds6

About N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide

N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide (PubChem CID 62716161) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
PubChem CID62716161
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
SMILESCCCOCCC(=O)N(C)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-9-17-10-8-13(16)14(2)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3
InChIKeyGLYPFMWRTXQNCG-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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 N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide (CID 62716161) is N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide is CCCOCCC(=O)N(C)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide?
The InChIKey is GLYPFMWRTXQNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-9-17-10-8-13(16)14(2)11-4-6-12(15)7-5-11/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide?
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide is sourced from PubChem (CID 62716161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).