2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane

C17H37N5O4 — CID 177054296

IUPAC2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
SMILESCC.CCNC(=O)COCCN1CCN(CCOCC(=O)NCN)CC1
InChIInChI=1S/C15H31N5O4.C2H6/c1-2-17-14(21)11-23-9-7-19-3-5-20(6-4-19)8-10-24-12-15(22)18-13-16;1-2/h2-13,16H2,1H3,(H,17,21)(H,18,22);1-2H3
InChIKeyXXQRBEKTFGCVBH-UHFFFAOYSA-N
MW375.51 g/mol
LogP-1.17
Rot. Bonds12

About 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane

2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane (PubChem CID 177054296) has the molecular formula C17H37N5O4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane.

Molecular Properties

Compound Name2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
PubChem CID177054296
Molecular FormulaC17H37N5O4
Molecular Weight375.51 g/mol
Exact Mass375.28
IUPAC Name2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane
SMILESCC.CCNC(=O)COCCN1CCN(CCOCC(=O)NCN)CC1
InChIInChI=1S/C15H31N5O4.C2H6/c1-2-17-14(21)11-23-9-7-19-3-5-20(6-4-19)8-10-24-12-15(22)18-13-16;1-2/h2-13,16H2,1H3,(H,17,21)(H,18,22);1-2H3
InChIKeyXXQRBEKTFGCVBH-UHFFFAOYSA-N
XLogP-1.17
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422
2-(aziridin-1-yl)ethyl N-ethylcarbamate
CID 20801404
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 177056741
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
N-ethyl-2-(2-methoxyethoxy)acetamide
CID 60651065
2-(2-aminoethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 79464083
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-N-ethylacetamide
CID 123400101
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443379
ethane;N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane?
The IUPAC name of 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane (CID 177054296) is 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane.
What is the SMILES notation for 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane?
The canonical SMILES for 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane is CC.CCNC(=O)COCCN1CCN(CCOCC(=O)NCN)CC1.
What is the InChIKey of 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane?
The InChIKey is XXQRBEKTFGCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N5O4.C2H6/c1-2-17-14(21)11-23-9-7-19-3-5-20(6-4-19)8-10-24-12-15(22)18-13-16;1-2/h2-13,16H2,1H3,(H,17,21)(H,18,22);1-2H3.
What are the key properties of 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane?
2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane has a molecular weight of 375.51 g/mol, XLogP of -1.17, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[2-(aminomethylamino)-2-oxoethoxy]ethyl]piperazin-1-yl]ethoxy]-N-ethylacetamide;ethane is sourced from PubChem (CID 177054296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).