cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate

C15H19NO3 — CID 16750613

IUPACcyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2=CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c1-18-14-9-7-13(8-10-14)16-15(17)19-11-12-5-3-2-4-6-12/h5,7-10H,2-4,6,11H2,1H3,(H,16,17)
InChIKeyNABWMDAOXQWSHE-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.74
Rot. Bonds4

About cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate

cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate (PubChem CID 16750613) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate
PubChem CID16750613
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namecyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC2=CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c1-18-14-9-7-13(8-10-14)16-15(17)19-11-12-5-3-2-4-6-12/h5,7-10H,2-4,6,11H2,1H3,(H,16,17)
InChIKeyNABWMDAOXQWSHE-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109299415
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate (CID 16750613) is cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC2=CCCCC2)cc1.
What is the InChIKey of cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate?
The InChIKey is NABWMDAOXQWSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-14-9-7-13(8-10-14)16-15(17)19-11-12-5-3-2-4-6-12/h5,7-10H,2-4,6,11H2,1H3,(H,16,17).
What are the key properties of cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate?
cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate has a molecular weight of 261.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 16750613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).