ethyl N-phenylcarbamate;2-prop-2-enylphenol

C18H21NO3 — CID 70514536

IUPACethyl N-phenylcarbamate;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CCOC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2.C9H10O/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-9(8)10/h3-7H,2H2,1H3,(H,10,11);2-4,6-7,10H,1,5H2
InChIKeyCRLFVMPMEUPTJG-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.38
Rot. Bonds4

About ethyl N-phenylcarbamate;2-prop-2-enylphenol

ethyl N-phenylcarbamate;2-prop-2-enylphenol (PubChem CID 70514536) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl N-phenylcarbamate;2-prop-2-enylphenol.

Molecular Properties

Compound Nameethyl N-phenylcarbamate;2-prop-2-enylphenol
PubChem CID70514536
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Nameethyl N-phenylcarbamate;2-prop-2-enylphenol
SMILESC=CCc1ccccc1O.CCOC(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO2.C9H10O/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-9(8)10/h3-7H,2H2,1H3,(H,10,11);2-4,6-7,10H,1,5H2
InChIKeyCRLFVMPMEUPTJG-UHFFFAOYSA-N
XLogP4.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
2-methylprop-2-enoic acid;2-prop-2-enylphenol
CID 70155060
sodium;ethoxyethane;hydride;2-prop-2-enylphenol
CID 173000215
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
2-ethoxyethyl N-phenylcarbamate
CID 4101389
boric acid;2-prop-2-enylphenol
CID 70457137
2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
CID 59081765
1-[4-(ethoxycarbonylamino)anilino]ethylidene-bis(prop-2-enyl)azanium
CID 21440482
dodecyl N-phenylcarbamate
CID 521818
ethyl N-(2-anilinophenyl)carbamate
CID 12930175

Frequently Asked Questions

What is the IUPAC name of ethyl N-phenylcarbamate;2-prop-2-enylphenol?
The IUPAC name of ethyl N-phenylcarbamate;2-prop-2-enylphenol (CID 70514536) is ethyl N-phenylcarbamate;2-prop-2-enylphenol.
What is the SMILES notation for ethyl N-phenylcarbamate;2-prop-2-enylphenol?
The canonical SMILES for ethyl N-phenylcarbamate;2-prop-2-enylphenol is C=CCc1ccccc1O.CCOC(=O)Nc1ccccc1.
What is the InChIKey of ethyl N-phenylcarbamate;2-prop-2-enylphenol?
The InChIKey is CRLFVMPMEUPTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C9H10O/c1-2-12-9(11)10-8-6-4-3-5-7-8;1-2-5-8-6-3-4-7-9(8)10/h3-7H,2H2,1H3,(H,10,11);2-4,6-7,10H,1,5H2.
What are the key properties of ethyl N-phenylcarbamate;2-prop-2-enylphenol?
ethyl N-phenylcarbamate;2-prop-2-enylphenol has a molecular weight of 299.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-phenylcarbamate;2-prop-2-enylphenol is sourced from PubChem (CID 70514536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).