3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide

C15H19NO3 — CID 55091695

IUPAC3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(C#CCO)cc1C
InChIInChI=1S/C15H19NO3/c1-3-19-10-8-15(18)16-14-7-6-13(5-4-9-17)11-12(14)2/h6-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyAJTPDVDHKWXBHP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.70
Rot. Bonds5

About 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide

3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide (PubChem CID 55091695) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
PubChem CID55091695
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide
SMILESCCOCCC(=O)Nc1ccc(C#CCO)cc1C
InChIInChI=1S/C15H19NO3/c1-3-19-10-8-15(18)16-14-7-6-13(5-4-9-17)11-12(14)2/h6-7,11,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyAJTPDVDHKWXBHP-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3-propoxypropanamide
CID 62715820
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-ethoxypropanamide
CID 81263961
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
CID 107940419
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826
3-[4-(2-ethoxyethoxy)-3-methylphenyl]prop-2-yn-1-ol
CID 63214275
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
2-hydroxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804357
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804356
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
5-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 79094339

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide?
The IUPAC name of 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide (CID 55091695) is 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide?
The canonical SMILES for 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide is CCOCCC(=O)Nc1ccc(C#CCO)cc1C.
What is the InChIKey of 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide?
The InChIKey is AJTPDVDHKWXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-19-10-8-15(18)16-14-7-6-13(5-4-9-17)11-12(14)2/h6-7,11,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide?
3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]propanamide is sourced from PubChem (CID 55091695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).