[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

C14H18N2O5 — CID 11011847

IUPAC[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
InChIInChI=1S/C14H18N2O5/c1-9(17)10-6-11(20-13(18)15(2)3)8-12(7-10)21-14(19)16(4)5/h6-8H,1-5H3
InChIKeyWTWHLMRXPNOZQX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.01
Rot. Bonds3

About [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate

[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate (PubChem CID 11011847) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
PubChem CID11011847
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
SMILESCC(=O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1
InChIInChI=1S/C14H18N2O5/c1-9(17)10-6-11(20-13(18)15(2)3)8-12(7-10)21-14(19)16(4)5/h6-8H,1-5H3
InChIKeyWTWHLMRXPNOZQX-UHFFFAOYSA-N
XLogP2.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
(4-acetyl-3-hydroxyphenyl) N,N-dimethylcarbamate
CID 163320495
[3-methyl-5-(methylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
CID 142031246
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
CID 142513776
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
[3-(dimethylamino)-4-methylphenyl] N,N-dimethylcarbamate
CID 23621926
(6-bromonaphthalen-2-yl) N,N-dimethylcarbamate
CID 807327
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
methyl 3,5-diacetyloxybenzoate
CID 7474700
(3,5-dimethoxyphenyl) N-(cyanomethyl)-N-methylcarbamate
CID 116819828
[4-(dimethylamino)-3-methylphenyl] N,N-dimethylcarbamate;iodomethane
CID 23622038

Frequently Asked Questions

What is the IUPAC name of [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The IUPAC name of [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate (CID 11011847) is [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate is CC(=O)c1cc(OC(=O)N(C)C)cc(OC(=O)N(C)C)c1.
What is the InChIKey of [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
The InChIKey is WTWHLMRXPNOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-9(17)10-6-11(20-13(18)15(2)3)8-12(7-10)21-14(19)16(4)5/h6-8H,1-5H3.
What are the key properties of [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate?
[3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate has a molecular weight of 294.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyl-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 11011847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).