2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate

C18H22N2O3 — CID 4658360

IUPAC2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
SMILESCCN(CCOC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-20(16-7-5-4-6-8-16)13-14-23-18(21)19-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyLBRVCFPVZRTFSW-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.77
Rot. Bonds7

About 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate

2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate (PubChem CID 4658360) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
PubChem CID4658360
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
SMILESCCN(CCOC(=O)Nc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3/c1-3-20(16-7-5-4-6-8-16)13-14-23-18(21)19-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21)
InChIKeyLBRVCFPVZRTFSW-UHFFFAOYSA-N
XLogP3.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethylanilino)ethyl N-(3-aminophenyl)carbamate
CID 154358903
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate (CID 4658360) is 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate is CCN(CCOC(=O)Nc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate?
The InChIKey is LBRVCFPVZRTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-20(16-7-5-4-6-8-16)13-14-23-18(21)19-15-9-11-17(22-2)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,19,21).
What are the key properties of 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate?
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate has a molecular weight of 314.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 4658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).