[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate

C17H31N3O7 — CID 58341019

IUPAC[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)NCCCC=O
InChIInChI=1S/C17H31N3O7/c1-3-18-16(23)26-12-14(13-27-17(24)19-4-2)25-11-7-8-15(22)20-9-5-6-10-21/h10,14H,3-9,11-13H2,1-2H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyGHWPUZXAJDJEOG-UHFFFAOYSA-N
MW389.45 g/mol
LogP0.74
Rot. Bonds15

About [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate

[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate (PubChem CID 58341019) has the molecular formula C17H31N3O7 and a molecular weight of 389.45 g/mol. Its IUPAC name is [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
PubChem CID58341019
Molecular FormulaC17H31N3O7
Molecular Weight389.45 g/mol
Exact Mass389.22
IUPAC Name[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)NCCCC=O
InChIInChI=1S/C17H31N3O7/c1-3-18-16(23)26-12-14(13-27-17(24)19-4-2)25-11-7-8-15(22)20-9-5-6-10-21/h10,14H,3-9,11-13H2,1-2H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyGHWPUZXAJDJEOG-UHFFFAOYSA-N
XLogP0.74
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864
[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
CID 163544048
[(2R)-2,3-dioctadecoxypropyl] N-[6-(3-methylbutylamino)-6-oxohexyl]carbamate
CID 90248241
[3-acetyloxy-2-[4-(2-butoxyethylamino)-4-oxobutoxy]propyl] acetate
CID 59435480
[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
CID 162133133
[2-[4-[2-[3-(2,5-dioxo-3-phosphanyliminoboranylsulfanylpyrrolidin-1-yl)propanoylamino]ethylamino]-4-oxobutoxy]-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
CID 58331213
[3-[6-[2-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]amino]-2-oxoethyl]-8-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-4,8-dioxooctoxy]-5-(ethylcarbamoyloxy)pentyl] N-ethylcarbamate;bis([2-[6-[2-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]amino]-2-oxoethyl]-8-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-4,8-dioxooctoxy]-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate)
CID 160580990
N-ethyl-5-oxopentanamide
CID 54062498
4-[4-[1-[2-(2-methoxyethoxy)ethylcarbamoyloxy]-3-(2-methoxyethoxymethylcarbamoyloxy)propan-2-yl]oxybutanoylamino]butoxy-methylphosphinic acid
CID 59728788
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate;3-methyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 160885077
2,3-bis[2-[2,3-bis(3-hydroxypropoxy)propoxy]ethoxy]propyl N-(3-oxopropyl)carbamate
CID 134238129
4-(3,7-dihydroperoxynonan-5-yloxy)-N-[2-(4-oxobutoxy)ethyl]butanamide;methanimine
CID 159569361

Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate?
The IUPAC name of [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate (CID 58341019) is [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate.
What is the SMILES notation for [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate?
The canonical SMILES for [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate is CCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)NCCCC=O.
What is the InChIKey of [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate?
The InChIKey is GHWPUZXAJDJEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O7/c1-3-18-16(23)26-12-14(13-27-17(24)19-4-2)25-11-7-8-15(22)20-9-5-6-10-21/h10,14H,3-9,11-13H2,1-2H3,(H,18,23)(H,19,24)(H,20,22).
What are the key properties of [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate?
[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate has a molecular weight of 389.45 g/mol, XLogP of 0.74, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate is sourced from PubChem (CID 58341019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).