2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide

C15H17NO3 — CID 43047937

IUPAC2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C15H17NO3/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h1,3-4,7-8,12H,5-6,9-11H2,(H,16,17)
InChIKeyJIOVBZLEVPGMAS-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.61
Rot. Bonds5

About 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide

2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide (PubChem CID 43047937) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
PubChem CID43047937
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccccc1OCC1CCCO1
InChIInChI=1S/C15H17NO3/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h1,3-4,7-8,12H,5-6,9-11H2,(H,16,17)
InChIKeyJIOVBZLEVPGMAS-UHFFFAOYSA-N
XLogP1.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 100730258
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide (CID 43047937) is 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide?
The InChIKey is JIOVBZLEVPGMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-9-16-15(17)13-7-3-4-8-14(13)19-11-12-6-5-10-18-12/h1,3-4,7-8,12H,5-6,9-11H2,(H,16,17).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide?
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide has a molecular weight of 259.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 43047937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).