5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide

C20H23NO3 — CID 177024658

IUPAC5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
SMILESCc1cc(OC2CCCC2)ccc1Oc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C20H23NO3/c1-13-7-8-17(12-18(13)20(21)22)24-19-10-9-16(11-14(19)2)23-15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H2,21,22)
InChIKeyYUEARPFREPXTBG-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.52
Rot. Bonds5

About 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide

5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide (PubChem CID 177024658) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide.

Molecular Properties

Compound Name5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
PubChem CID177024658
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
SMILESCc1cc(OC2CCCC2)ccc1Oc1ccc(C)c(C(N)=O)c1
InChIInChI=1S/C20H23NO3/c1-13-7-8-17(12-18(13)20(21)22)24-19-10-9-16(11-14(19)2)23-15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H2,21,22)
InChIKeyYUEARPFREPXTBG-UHFFFAOYSA-N
XLogP4.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81277562
5-amino-2-cyclohexyloxybenzamide
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CID 174534962
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
(4-cyclopentyloxy-2-methylphenyl)boronic acid
CID 83140342
4-(4-cyclopentyloxyphenoxy)-2-methoxy-1-methylbenzene
CID 69357096
5-[4-(cyclopentylamino)-2-methylphenoxy]-N-(3-methoxypropyl)-2-methylbenzamide
CID 177024691
4-cycloheptyloxybenzamide
CID 141109251
1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
CID 91362991
3-cyclopentyloxybenzamide
CID 71932153
4-(3-cyclopentyloxyphenoxy)benzamide;formic acid
CID 69120373

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide?
The IUPAC name of 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide (CID 177024658) is 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide.
What is the SMILES notation for 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide?
The canonical SMILES for 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide is Cc1cc(OC2CCCC2)ccc1Oc1ccc(C)c(C(N)=O)c1.
What is the InChIKey of 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide?
The InChIKey is YUEARPFREPXTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-7-8-17(12-18(13)20(21)22)24-19-10-9-16(11-14(19)2)23-15-5-3-4-6-15/h7-12,15H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide?
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide is sourced from PubChem (CID 177024658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).