(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate

C17H19NO3 — CID 59492005

IUPAC(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
SMILESCOc1ccc(COC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyJTZZQOQPTNGWGA-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.16
Rot. Bonds6

About (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate

(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate (PubChem CID 59492005) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
PubChem CID59492005
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
SMILESCOc1ccc(COC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyJTZZQOQPTNGWGA-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[2-(4-methoxyphenyl)ethyl]carbamate;chloromethylbenzene;2-(4-methoxyphenyl)ethanamine
CID 158225317
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 14018351
benzyl N-[2-(4-ethynylphenyl)ethyl]carbamate
CID 138986465
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
(4-methoxyphenyl)methyl N-[2-(dimethylamino)ethyl]carbamate
CID 127523781
benzyl N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]carbamate
CID 110415278
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate (CID 59492005) is (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate is COc1ccc(COC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate?
The InChIKey is JTZZQOQPTNGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate?
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate is sourced from PubChem (CID 59492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).