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

C15H23NO4 — CID 60637680

IUPACethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H23NO4/c1-4-18-13-8-7-12(11-14(13)19-5-2)9-10-16-15(17)20-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyGOXVSMCUQZFKOK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.77
Rot. Bonds8

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

ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate (PubChem CID 60637680) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
PubChem CID60637680
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H23NO4/c1-4-18-13-8-7-12(11-14(13)19-5-2)9-10-16-15(17)20-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyGOXVSMCUQZFKOK-UHFFFAOYSA-N
XLogP2.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[2-(3,4-dimethylphenyl)ethyl]carbamate
CID 110787279
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethenylurea
CID 108909248
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(methoxymethyl)urea
CID 108893630
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate (CID 60637680) is ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(OCC)c(OCC)c1.
What is the InChIKey of ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate?
The InChIKey is GOXVSMCUQZFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-18-13-8-7-12(11-14(13)19-5-2)9-10-16-15(17)20-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,16,17).
What are the key properties of ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate?
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 60637680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).