ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate

C14H21NO5 — CID 113095674

IUPACethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-5-20-14(16)15-7-6-10-8-11(17-2)13(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyZZSJVUTYJJWZAP-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.00
Rot. Bonds7

About ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate

ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate (PubChem CID 113095674) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
PubChem CID113095674
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-5-20-14(16)15-7-6-10-8-11(17-2)13(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyZZSJVUTYJJWZAP-UHFFFAOYSA-N
XLogP2.00
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]butanamide
CID 15341354
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N-ethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
CID 14089100
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217127
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
1,2,3-trimethoxy-5-[2-(sulfamoylamino)ethyl]benzene
CID 71658869

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate (CID 113095674) is ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate is CCOC(=O)NCCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate?
The InChIKey is ZZSJVUTYJJWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-5-20-14(16)15-7-6-10-8-11(17-2)13(19-4)12(9-10)18-3/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate?
ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate has a molecular weight of 283.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 113095674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).