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

C17H17NO3 — CID 4271861

IUPAC(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
SMILESCOc1ccc(COC(=O)NC=Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyCNMQHIPKAUOQGF-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.59
Rot. Bonds5

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

(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate (PubChem CID 4271861) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
PubChem CID4271861
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
SMILESCOc1ccc(COC(=O)NC=Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19)
InChIKeyCNMQHIPKAUOQGF-UHFFFAOYSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7872590
benzyl N-[(Z)-(4-methoxyphenyl)methylideneamino]carbamate
CID 6091794
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
benzyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 122231425
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
2-O-[(4-methoxyphenyl)methoxycarbonyloxymethyl] 1-O-(phenylmethoxycarbonyloxymethyl) oxalate
CID 123421696
benzyl N-[(4-methoxyphenyl)diazenyl]carbamate;carbamic acid
CID 136641675
2-phenylethenylcarbamic acid
CID 151881054

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate (CID 4271861) is (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate is COc1ccc(COC(=O)NC=Cc2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate?
The InChIKey is CNMQHIPKAUOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-20-16-9-7-15(8-10-16)13-21-17(19)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,18,19).
What are the key properties of (4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate?
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate has a molecular weight of 283.33 g/mol, XLogP of 3.59, 5 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-phenylethenyl)carbamate is sourced from PubChem (CID 4271861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).