methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate

C14H19NO3 — CID 110477745

IUPACmethyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
SMILESCOC(=O)NCC1(c2ccccc2OC)CCC1
InChIInChI=1S/C14H19NO3/c1-17-12-7-4-3-6-11(12)14(8-5-9-14)10-15-13(16)18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16)
InChIKeyCALFKHXCPPHKLH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.47
Rot. Bonds4

About methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate

methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate (PubChem CID 110477745) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
PubChem CID110477745
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate
SMILESCOC(=O)NCC1(c2ccccc2OC)CCC1
InChIInChI=1S/C14H19NO3/c1-17-12-7-4-3-6-11(12)14(8-5-9-14)10-15-13(16)18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16)
InChIKeyCALFKHXCPPHKLH-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-oxopropanamide
CID 110478355
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]propanamide
CID 110441312
1-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-3-phenylurea
CID 110446753
2-(2-methoxyphenyl)-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]acetamide
CID 110446469
1-(4-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110446818
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
1,1-diethyl-3-[[1-(2-methoxyphenyl)cyclopentyl]methyl]urea
CID 110445118
2-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-3-methylpentanamide
CID 119747072
2-(4-aminophenyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]acetamide;hydrochloride
CID 119747038
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate?
The IUPAC name of methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate (CID 110477745) is methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate is COC(=O)NCC1(c2ccccc2OC)CCC1.
What is the InChIKey of methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate?
The InChIKey is CALFKHXCPPHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-12-7-4-3-6-11(12)14(8-5-9-14)10-15-13(16)18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,16).
What are the key properties of methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate?
methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]carbamate is sourced from PubChem (CID 110477745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).