N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide

C26H27NO5 — CID 17141902

IUPACN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H27NO5/c28-26(27-21-8-5-12-24(18-21)32-19-25-13-6-14-29-25)20-7-4-11-23(17-20)31-16-15-30-22-9-2-1-3-10-22/h1-5,7-12,17-18,25H,6,13-16,19H2,(H,27,28)
InChIKeyMTMWFSRSSBDSAF-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.95
Rot. Bonds10

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

N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide (PubChem CID 17141902) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
PubChem CID17141902
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC NameN-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESO=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C26H27NO5/c28-26(27-21-8-5-12-24(18-21)32-19-25-13-6-14-29-25)20-7-4-11-23(17-20)31-16-15-30-22-9-2-1-3-10-22/h1-5,7-12,17-18,25H,6,13-16,19H2,(H,27,28)
InChIKeyMTMWFSRSSBDSAF-UHFFFAOYSA-N
XLogP4.95
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 42950380
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
methyl 3-[[3-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]benzoate
CID 25496492
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
N-[3-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 42427203
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
3-(2-ethoxyethoxy)-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17142058
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
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-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide (CID 17141902) is N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide is O=C(Nc1cccc(OCC2CCCO2)c1)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide?
The InChIKey is MTMWFSRSSBDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c28-26(27-21-8-5-12-24(18-21)32-19-25-13-6-14-29-25)20-7-4-11-23(17-20)31-16-15-30-22-9-2-1-3-10-22/h1-5,7-12,17-18,25H,6,13-16,19H2,(H,27,28).
What are the key properties of N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide?
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide has a molecular weight of 433.50 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17141902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).