3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

C16H23NO4 — CID 122141053

IUPAC3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C16H23NO4/c1-16(10-18,11-19)17-15(20)12-5-4-8-14(9-12)21-13-6-2-3-7-13/h4-5,8-9,13,18-19H,2-3,6-7,10-11H2,1H3,(H,17,20)
InChIKeyXSRAUFMZMLXPFJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.48
Rot. Bonds6

About 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide

3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 122141053) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
PubChem CID122141053
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(CO)(CO)NC(=O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C16H23NO4/c1-16(10-18,11-19)17-15(20)12-5-4-8-14(9-12)21-13-6-2-3-7-13/h4-5,8-9,13,18-19H,2-3,6-7,10-11H2,1H3,(H,17,20)
InChIKeyXSRAUFMZMLXPFJ-UHFFFAOYSA-N
XLogP1.48
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744
4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
3-cyclopentyloxybenzamide
CID 71932153
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117410573
1-(3-cyclopropyloxyphenyl)-2-hydroxy-2-methylbutan-1-one
CID 103446837
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3-cyclohexyloxy-N-(2-fluoro-3-hydroxyphenyl)benzamide
CID 119042987
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide (CID 122141053) is 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is CC(CO)(CO)NC(=O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is XSRAUFMZMLXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(10-18,11-19)17-15(20)12-5-4-8-14(9-12)21-13-6-2-3-7-13/h4-5,8-9,13,18-19H,2-3,6-7,10-11H2,1H3,(H,17,20).
What are the key properties of 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide?
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 293.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 122141053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).