[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium

C18H28N3O5+ — CID 8792421

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)CC(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H27N3O5/c1-4-21(13-17(23)20-18(24)26-5-2)12-16(22)19-11-10-14-8-6-7-9-15(14)25-3/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23,24)/p+1
InChIKeyFFNLEPHHVCHJLV-UHFFFAOYSA-O
MW366.44 g/mol
LogP-0.47
Rot. Bonds10

About [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8792421) has the molecular formula C18H28N3O5+ and a molecular weight of 366.44 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8792421
Molecular FormulaC18H28N3O5+
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCCOC(=O)NC(=O)C[NH+](CC)CC(=O)NCCc1ccccc1OC
InChIInChI=1S/C18H27N3O5/c1-4-21(13-17(23)20-18(24)26-5-2)12-16(22)19-11-10-14-8-6-7-9-15(14)25-3/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23,24)/p+1
InChIKeyFFNLEPHHVCHJLV-UHFFFAOYSA-O
XLogP-0.47
TPSA98.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium with MolForge

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181298
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230095

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium (CID 8792421) is [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium is CCOC(=O)NC(=O)C[NH+](CC)CC(=O)NCCc1ccccc1OC.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is FFNLEPHHVCHJLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O5/c1-4-21(13-17(23)20-18(24)26-5-2)12-16(22)19-11-10-14-8-6-7-9-15(14)25-3/h6-9H,4-5,10-13H2,1-3H3,(H,19,22)(H,20,23,24)/p+1.
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium?
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 366.44 g/mol, XLogP of -0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8792421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).