[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate

C19H23NO3 — CID 57278925

IUPAC[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1-c1cccc(OC)c1
InChIInChI=1S/C19H23NO3/c1-4-20(5-2)19(21)23-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)22-3/h6-13H,4-5,14H2,1-3H3
InChIKeyVGEHATAILMYDIQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.34
Rot. Bonds6

About [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate

[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate (PubChem CID 57278925) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
PubChem CID57278925
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1ccccc1-c1cccc(OC)c1
InChIInChI=1S/C19H23NO3/c1-4-20(5-2)19(21)23-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)22-3/h6-13H,4-5,14H2,1-3H3
InChIKeyVGEHATAILMYDIQ-UHFFFAOYSA-N
XLogP4.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57074260
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CID 44551915
(2-methylphenyl)methyl N,N-diethylcarbamate
CID 127519687
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
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[2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl acetate
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ethyl 2,4-dihydroxy-6-(3-methoxyphenyl)benzoate
CID 10779697
1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
5-hydroxy-1-[[2-(3-methoxyphenyl)phenyl]methyl]-4-oxopyridine-3-carboxylic acid
CID 58067690
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
2-[2-(3-methoxyphenyl)phenyl]phenol
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CID 68927596

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate?
The IUPAC name of [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate (CID 57278925) is [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate.
What is the SMILES notation for [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate?
The canonical SMILES for [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1ccccc1-c1cccc(OC)c1.
What is the InChIKey of [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate?
The InChIKey is VGEHATAILMYDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-20(5-2)19(21)23-14-16-9-6-7-12-18(16)15-10-8-11-17(13-15)22-3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate?
[2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate has a molecular weight of 313.40 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)phenyl]methyl N,N-diethylcarbamate is sourced from PubChem (CID 57278925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).