5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C22H27NO4 — CID 56503491

IUPAC5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H27NO4/c24-21-10-9-18(14-17-6-2-1-3-7-17)15-20(21)22(25)23-11-5-12-26-16-19-8-4-13-27-19/h1-3,6-7,9-10,15,19,24H,4-5,8,11-14,16H2,(H,23,25)
InChIKeyMPUWPVKNAOAVDB-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.30
Rot. Bonds9

About 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 56503491) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID56503491
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCC1CCCO1)c1cc(Cc2ccccc2)ccc1O
InChIInChI=1S/C22H27NO4/c24-21-10-9-18(14-17-6-2-1-3-7-17)15-20(21)22(25)23-11-5-12-26-16-19-8-4-13-27-19/h1-3,6-7,9-10,15,19,24H,4-5,8,11-14,16H2,(H,23,25)
InChIKeyMPUWPVKNAOAVDB-UHFFFAOYSA-N
XLogP3.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.30
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

N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61378454
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
1-benzyl-5-ethyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 78872899
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 56503491) is 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is O=C(NCCCOCC1CCCO1)c1cc(Cc2ccccc2)ccc1O.
What is the InChIKey of 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is MPUWPVKNAOAVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c24-21-10-9-18(14-17-6-2-1-3-7-17)15-20(21)22(25)23-11-5-12-26-16-19-8-4-13-27-19/h1-3,6-7,9-10,15,19,24H,4-5,8,11-14,16H2,(H,23,25).
What are the key properties of 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 369.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 56503491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).