N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide

C22H27NO2 — CID 100692444

IUPACN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-16-13-19(23-21(24)22(3)11-7-8-12-22)14-17(2)20(16)25-15-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,23,24)
InChIKeyOMXIDTLSVGTRSY-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.40
Rot. Bonds5

About N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide

N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 100692444) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID100692444
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CCCC2)cc(C)c1OCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-16-13-19(23-21(24)22(3)11-7-8-12-22)14-17(2)20(16)25-15-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,23,24)
InChIKeyOMXIDTLSVGTRSY-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100714152
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 100665172
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 100678872
trans-(1S,3R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707497
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
1-ethoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731535
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
N-(4-ethoxy-3,5-dimethylphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663730

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide (CID 100692444) is N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide is Cc1cc(NC(=O)C2(C)CCCC2)cc(C)c1OCc1ccccc1.
What is the InChIKey of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is OMXIDTLSVGTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-13-19(23-21(24)22(3)11-7-8-12-22)14-17(2)20(16)25-15-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,23,24).
What are the key properties of N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 100692444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).