phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate

C16H17NO3 — CID 110755565

IUPACphenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(CCNC(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)20-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyVPQRUTXIVKWDOG-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds5

About phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate

phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate (PubChem CID 110755565) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
PubChem CID110755565
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namephenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cccc(CCNC(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)20-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyVPQRUTXIVKWDOG-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(2-phenylethyl)carbamate
CID 12632743
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 111536720
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
methyl N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 47308059
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
(Z)-4-[2-(3-methoxyphenyl)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107846613
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate (CID 110755565) is phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate is COc1cccc(CCNC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate?
The InChIKey is VPQRUTXIVKWDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)20-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate?
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate has a molecular weight of 271.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 110755565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).