ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate

C17H25N3O5 — CID 8905214

IUPACethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H25N3O5/c1-4-20(12-16(22)19-17(23)25-6-3)11-15(21)18-13-9-7-8-10-14(13)24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22,23)
InChIKeyAMWLFNJUPKWEGF-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.62
Rot. Bonds9

About ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate (PubChem CID 8905214) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
PubChem CID8905214
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Nameethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H25N3O5/c1-4-20(12-16(22)19-17(23)25-6-3)11-15(21)18-13-9-7-8-10-14(13)24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22,23)
InChIKeyAMWLFNJUPKWEGF-UHFFFAOYSA-N
XLogP1.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 86893465
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
methyl 3-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-4-methylbenzoate
CID 8799678
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
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ethyl N-[2-[[2-(dibenzylamino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905436
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
CID 174193763
CID 174193763
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate (CID 8905214) is ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccccc1OCC.
What is the InChIKey of ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
The InChIKey is AMWLFNJUPKWEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-4-20(12-16(22)19-17(23)25-6-3)11-15(21)18-13-9-7-8-10-14(13)24-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)(H,19,22,23).
What are the key properties of ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate has a molecular weight of 351.40 g/mol, XLogP of 1.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 8905214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).