1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide

C23H37NO2 — CID 90755537

IUPAC1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide
SMILESCC(=O)NCCC1(C)CCCC1.COc1ccc(C2(C)CCCC2)cc1
InChIInChI=1S/C13H18O.C10H19NO/c1-13(9-3-4-10-13)11-5-7-12(14-2)8-6-11;1-9(12)11-8-7-10(2)5-3-4-6-10/h5-8H,3-4,9-10H2,1-2H3;3-8H2,1-2H3,(H,11,12)
InChIKeyCVGSVDVSBSFBNT-UHFFFAOYSA-N
MW359.55 g/mol
LogP5.62
Rot. Bonds5

About 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide

1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide (PubChem CID 90755537) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide.

Molecular Properties

Compound Name1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide
PubChem CID90755537
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide
SMILESCC(=O)NCCC1(C)CCCC1.COc1ccc(C2(C)CCCC2)cc1
InChIInChI=1S/C13H18O.C10H19NO/c1-13(9-3-4-10-13)11-5-7-12(14-2)8-6-11;1-9(12)11-8-7-10(2)5-3-4-6-10/h5-8H,3-4,9-10H2,1-2H3;3-8H2,1-2H3,(H,11,12)
InChIKeyCVGSVDVSBSFBNT-UHFFFAOYSA-N
XLogP5.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[4-[4-(1-methylcyclohexyl)phenoxy]phenyl]methanone
CID 59693453
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
N-[1-(4-methoxyphenyl)cyclobutyl]-3-oxobutanamide
CID 110477390
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
ethyl 2-(4-methoxyphenyl)oxane-2-carboxylate
CID 142504241
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide?
The IUPAC name of 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide (CID 90755537) is 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide.
What is the SMILES notation for 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide?
The canonical SMILES for 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide is CC(=O)NCCC1(C)CCCC1.COc1ccc(C2(C)CCCC2)cc1.
What is the InChIKey of 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide?
The InChIKey is CVGSVDVSBSFBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C10H19NO/c1-13(9-3-4-10-13)11-5-7-12(14-2)8-6-11;1-9(12)11-8-7-10(2)5-3-4-6-10/h5-8H,3-4,9-10H2,1-2H3;3-8H2,1-2H3,(H,11,12).
What are the key properties of 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide?
1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide has a molecular weight of 359.55 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-methylcyclopentyl)benzene;N-[2-(1-methylcyclopentyl)ethyl]acetamide is sourced from PubChem (CID 90755537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).