[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid

C15H21NO3 — CID 69274857

IUPAC[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid
SMILESCc1ccc(CCOC2CCC(NC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-14)16-15(17)18/h2-5,13-14,16H,6-10H2,1H3,(H,17,18)
InChIKeyFSVMLDSGGHKWKO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.74
Rot. Bonds5

About [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid

[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid (PubChem CID 69274857) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid
PubChem CID69274857
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid
SMILESCc1ccc(CCOC2CCC(NC(=O)O)C2)cc1
InChIInChI=1S/C15H21NO3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-14)16-15(17)18/h2-5,13-14,16H,6-10H2,1H3,(H,17,18)
InChIKeyFSVMLDSGGHKWKO-UHFFFAOYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-methyl (1R,3S)-3-(2-phenylethoxy)cyclohexane-1-carboxylate
CID 129389048
benzyl N-[(3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]carbamate
CID 71052472
benzyl N-[3-[(E)-2-(4-methylphenyl)-3-phenylprop-2-enoxy]cyclopentyl]carbamate
CID 58812735
[3-[(4-bromophenyl)methoxy]cyclobutyl]carbamic acid
CID 118524795
[(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentyl]carbamic acid
CID 146194980
4-(4-methylphenyl)butyl N-cyclohexylcarbamate
CID 90359705
1-(3-cyclohexyloxypropyl)-4-methylbenzene
CID 59931440
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-(4-methylphenyl)acetamide
CID 43603845
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
[(1R)-3-[[4-[3-(trifluoromethyl)phenyl]phenyl]methoxy]cyclohexyl]carbamic acid
CID 118524831
(3-cyclopropyloxycyclobutyl)carbamic acid
CID 172801977
1-[4-(2-aminoethoxy)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 82688051

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid?
The IUPAC name of [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid (CID 69274857) is [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid.
What is the SMILES notation for [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid?
The canonical SMILES for [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid is Cc1ccc(CCOC2CCC(NC(=O)O)C2)cc1.
What is the InChIKey of [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid?
The InChIKey is FSVMLDSGGHKWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-2-4-12(5-3-11)8-9-19-14-7-6-13(10-14)16-15(17)18/h2-5,13-14,16H,6-10H2,1H3,(H,17,18).
What are the key properties of [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid?
[3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid has a molecular weight of 263.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methylphenyl)ethoxy]cyclopentyl]carbamic acid is sourced from PubChem (CID 69274857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).