2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide

C20H35N5O3 — CID 55823292

IUPAC2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CC(=O)NCC(c2ccco2)N(CC)CC)CC1
InChIInChI=1S/C20H35N5O3/c1-4-21-19(26)15-23-9-11-24(12-10-23)16-20(27)22-14-17(25(5-2)6-3)18-8-7-13-28-18/h7-8,13,17H,4-6,9-12,14-16H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyOAAHGBHOIACYQO-UHFFFAOYSA-N
MW393.53 g/mol
LogP0.53
Rot. Bonds11

About 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 55823292) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID55823292
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(CC(=O)NCC(c2ccco2)N(CC)CC)CC1
InChIInChI=1S/C20H35N5O3/c1-4-21-19(26)15-23-9-11-24(12-10-23)16-20(27)22-14-17(25(5-2)6-3)18-8-7-13-28-18/h7-8,13,17H,4-6,9-12,14-16H2,1-3H3,(H,21,26)(H,22,27)
InChIKeyOAAHGBHOIACYQO-UHFFFAOYSA-N
XLogP0.53
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828169
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51095697
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 94819543
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 71933658
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetamide
CID 52524946
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94824014
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
4-(2-anilino-2-oxoethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperazine-1-carboxamide
CID 86916778
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374323
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020744
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 55446174

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide (CID 55823292) is 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(CC(=O)NCC(c2ccco2)N(CC)CC)CC1.
What is the InChIKey of 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is OAAHGBHOIACYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-4-21-19(26)15-23-9-11-24(12-10-23)16-20(27)22-14-17(25(5-2)6-3)18-8-7-13-28-18/h7-8,13,17H,4-6,9-12,14-16H2,1-3H3,(H,21,26)(H,22,27).
What are the key properties of 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 393.53 g/mol, XLogP of 0.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 55823292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).