N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide

C16H21NO5 — CID 166479502

IUPACN-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
SMILESC#CCOCCOCCOCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H21NO5/c1-2-8-20-10-12-22-13-11-21-9-7-16(19)17-14-3-5-15(18)6-4-14/h1,3-6,18H,7-13H2,(H,17,19)
InChIKeyHOVYNHUASVWFMU-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.40
Rot. Bonds11

About N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide

N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide (PubChem CID 166479502) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
PubChem CID166479502
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC NameN-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
SMILESC#CCOCCOCCOCCC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H21NO5/c1-2-8-20-10-12-22-13-11-21-9-7-16(19)17-14-3-5-15(18)6-4-14/h1,3-6,18H,7-13H2,(H,17,19)
InChIKeyHOVYNHUASVWFMU-UHFFFAOYSA-N
XLogP1.40
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-[4-[4-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]benzoyl]anilino]propyl]-4-sulfamoylbenzamide
CID 126962006
benzene-1,4-diol;3-prop-2-ynoxyprop-1-yne
CID 22749294
methanamine;N-methyl-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide
CID 159160383
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
(2S)-N-[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]-3-methyl-2-[3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]butanamide
CID 142602499
3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 167313088
3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
CID 166479274
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
N-(4-cyanophenyl)-3-(2-propoxyethoxy)propanamide
CID 63685828
N-(4-ethynylphenyl)-4-[2-(2-hydroxyethoxy)ethoxy]butanamide
CID 162035650
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-(2-prop-2-ynoxyethoxy)propanamide
CID 172937368
N-(4-cyanophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 115942045

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?
The IUPAC name of N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide (CID 166479502) is N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?
The canonical SMILES for N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide is C#CCOCCOCCOCCC(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?
The InChIKey is HOVYNHUASVWFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-2-8-20-10-12-22-13-11-21-9-7-16(19)17-14-3-5-15(18)6-4-14/h1,3-6,18H,7-13H2,(H,17,19).
What are the key properties of N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide?
N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide has a molecular weight of 307.35 g/mol, XLogP of 1.40, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 166479502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).