N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide

C15H21NO4 — CID 78854576

IUPACN-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCCO)c1ccccc1OCC1CCCO1
InChIInChI=1S/C15H21NO4/c17-9-4-8-16-15(18)13-6-1-2-7-14(13)20-11-12-5-3-10-19-12/h1-2,6-7,12,17H,3-5,8-11H2,(H,16,18)
InChIKeyBZUWEUMIRSHFSB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.36
Rot. Bonds7

About N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide

N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide (PubChem CID 78854576) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
PubChem CID78854576
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCCCO)c1ccccc1OCC1CCCO1
InChIInChI=1S/C15H21NO4/c17-9-4-8-16-15(18)13-6-1-2-7-14(13)20-11-12-5-3-10-19-12/h1-2,6-7,12,17H,3-5,8-11H2,(H,16,18)
InChIKeyBZUWEUMIRSHFSB-UHFFFAOYSA-N
XLogP1.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94018328
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
CID 54803377
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
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
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 24658110
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

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide (CID 78854576) is N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide is O=C(NCCCO)c1ccccc1OCC1CCCO1.
What is the InChIKey of N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is BZUWEUMIRSHFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-9-4-8-16-15(18)13-6-1-2-7-14(13)20-11-12-5-3-10-19-12/h1-2,6-7,12,17H,3-5,8-11H2,(H,16,18).
What are the key properties of N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide?
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 78854576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).