tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate

C16H26N2O4 — CID 103717280

IUPACtert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate
SMILESCCOc1ccc(NCCNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O4/c1-6-21-13-8-7-12(11-14(13)20-5)17-9-10-18-15(19)22-16(2,3)4/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyVTJZEOJIQGWDEZ-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.03
Rot. Bonds7

About tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate

tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate (PubChem CID 103717280) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate
PubChem CID103717280
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate
SMILESCCOc1ccc(NCCNC(=O)OC(C)(C)C)cc1OC
InChIInChI=1S/C16H26N2O4/c1-6-21-13-8-7-12(11-14(13)20-5)17-9-10-18-15(19)22-16(2,3)4/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19)
InChIKeyVTJZEOJIQGWDEZ-UHFFFAOYSA-N
XLogP3.03
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)propyl]carbamate
CID 103388467
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
4-ethoxy-3-methoxy-N-pentylaniline
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2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
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tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
tert-butyl N-[3-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919920
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
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tert-butyl N-[2-(3-chloro-4-fluoroanilino)ethyl]carbamate
CID 115868886
tert-butyl N-[3-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyanilino]-3-oxopropyl]carbamate
CID 26259494

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate (CID 103717280) is tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate is CCOc1ccc(NCCNC(=O)OC(C)(C)C)cc1OC.
What is the InChIKey of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate?
The InChIKey is VTJZEOJIQGWDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-6-21-13-8-7-12(11-14(13)20-5)17-9-10-18-15(19)22-16(2,3)4/h7-8,11,17H,6,9-10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate?
tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-ethoxy-3-methoxyanilino)ethyl]carbamate is sourced from PubChem (CID 103717280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).