4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide

C24H29NO3 — CID 86843823

IUPAC4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
SMILESO=C(NCC1CCCOC1c1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H29NO3/c26-24(19-12-14-22(15-13-19)28-21-10-4-5-11-21)25-17-20-9-6-16-27-23(20)18-7-2-1-3-8-18/h1-3,7-8,12-15,20-21,23H,4-6,9-11,16-17H2,(H,25,26)
InChIKeyJTOOOMIHLNACSS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.91
Rot. Bonds6

About 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide

4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide (PubChem CID 86843823) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
PubChem CID86843823
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
SMILESO=C(NCC1CCCOC1c1ccccc1)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C24H29NO3/c26-24(19-12-14-22(15-13-19)28-21-10-4-5-11-21)25-17-20-9-6-16-27-23(20)18-7-2-1-3-8-18/h1-3,7-8,12-15,20-21,23H,4-6,9-11,16-17H2,(H,25,26)
InChIKeyJTOOOMIHLNACSS-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[[(2R,3R)-2-phenyloxan-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 52511157
N-[(2-phenyloxan-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47076950
3-amino-N-[(2-phenyloxan-3-yl)methyl]cyclohexane-1-carboxamide
CID 119741497
N-[(2-phenyloxan-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119741526
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
CID 71864345
N-[2-(benzylsulfamoyl)ethyl]-4-cyclopentyloxybenzamide
CID 55795806
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136528888
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
4-cyclopentyloxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518367
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyclopentyloxybenzamide
CID 49097225

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide?
The IUPAC name of 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide (CID 86843823) is 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide?
The canonical SMILES for 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide is O=C(NCC1CCCOC1c1ccccc1)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide?
The InChIKey is JTOOOMIHLNACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c26-24(19-12-14-22(15-13-19)28-21-10-4-5-11-21)25-17-20-9-6-16-27-23(20)18-7-2-1-3-8-18/h1-3,7-8,12-15,20-21,23H,4-6,9-11,16-17H2,(H,25,26).
What are the key properties of 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide?
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide is sourced from PubChem (CID 86843823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).