(4-methylphenyl) N-(2-phenylethyl)carbamate

C16H17NO2 — CID 10801006

IUPAC(4-methylphenyl) N-(2-phenylethyl)carbamate
SMILESCc1ccc(OC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)19-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyADPONZGRPRVZEB-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About (4-methylphenyl) N-(2-phenylethyl)carbamate

(4-methylphenyl) N-(2-phenylethyl)carbamate (PubChem CID 10801006) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (4-methylphenyl) N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-(2-phenylethyl)carbamate
PubChem CID10801006
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(4-methylphenyl) N-(2-phenylethyl)carbamate
SMILESCc1ccc(OC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)19-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyADPONZGRPRVZEB-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-(2-phenylethyl)carbamate
CID 12632743
(4-methylphenyl) N-benzylcarbamate
CID 14292552
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
(4-methylphenyl) 2-(3-phenylpropanoylamino)acetate
CID 110670571
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
2-(4-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659061
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
(4-phenylphenyl) N-benzylcarbamate
CID 25174478
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
phenyl N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321456
phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-(2-phenylethyl)carbamate?
The IUPAC name of (4-methylphenyl) N-(2-phenylethyl)carbamate (CID 10801006) is (4-methylphenyl) N-(2-phenylethyl)carbamate.
What is the SMILES notation for (4-methylphenyl) N-(2-phenylethyl)carbamate?
The canonical SMILES for (4-methylphenyl) N-(2-phenylethyl)carbamate is Cc1ccc(OC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) N-(2-phenylethyl)carbamate?
The InChIKey is ADPONZGRPRVZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-13-7-9-15(10-8-13)19-16(18)17-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of (4-methylphenyl) N-(2-phenylethyl)carbamate?
(4-methylphenyl) N-(2-phenylethyl)carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-(2-phenylethyl)carbamate is sourced from PubChem (CID 10801006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).