N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide

C21H25NO4 — CID 17141891

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H25NO4/c1-2-12-25-20-11-4-3-10-19(20)21(23)22-16-7-5-8-17(14-16)26-15-18-9-6-13-24-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,22,23)
InChIKeyPJPXGCAWIPGGKZ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.29
Rot. Bonds8

About N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide (PubChem CID 17141891) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
PubChem CID17141891
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H25NO4/c1-2-12-25-20-11-4-3-10-19(20)21(23)22-16-7-5-8-17(14-16)26-15-18-9-6-13-24-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,22,23)
InChIKeyPJPXGCAWIPGGKZ-UHFFFAOYSA-N
XLogP4.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(2-phenylethoxy)benzamide
CID 17141950
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-2-propoxybenzamide
CID 17202343
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
N-(3-carbamoylphenyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 18103402
N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamothioyl]-2-propoxybenzamide
CID 8544220
3-bromo-4-butoxy-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141903
2-[2-(oxolan-2-ylmethoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54829439
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
3-bromo-4-hexoxy-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141909
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 38477709

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide (CID 17141891) is N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide?
The InChIKey is PJPXGCAWIPGGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-12-25-20-11-4-3-10-19(20)21(23)22-16-7-5-8-17(14-16)26-15-18-9-6-13-24-18/h3-5,7-8,10-11,14,18H,2,6,9,12-13,15H2,1H3,(H,22,23).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide has a molecular weight of 355.43 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 17141891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).