2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide

C19H39N3O8 — CID 59101699

IUPAC2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide
SMILESCCOCC(COCC)NC(=O)COCCOCC(=O)NN(COCC)COCC
InChIInChI=1S/C19H39N3O8/c1-5-25-11-17(12-26-6-2)20-18(23)13-29-9-10-30-14-19(24)21-22(15-27-7-3)16-28-8-4/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPDBSTKOJKSEGHM-UHFFFAOYSA-N
MW437.53 g/mol
LogP-0.10
Rot. Bonds21

About 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide

2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide (PubChem CID 59101699) has the molecular formula C19H39N3O8 and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide
PubChem CID59101699
Molecular FormulaC19H39N3O8
Molecular Weight437.53 g/mol
Exact Mass437.27
IUPAC Name2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide
SMILESCCOCC(COCC)NC(=O)COCCOCC(=O)NN(COCC)COCC
InChIInChI=1S/C19H39N3O8/c1-5-25-11-17(12-26-6-2)20-18(23)13-29-9-10-30-14-19(24)21-22(15-27-7-3)16-28-8-4/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPDBSTKOJKSEGHM-UHFFFAOYSA-N
XLogP-0.10
TPSA116.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-bis(2-oxopropoxy)propan-2-yl]-2-[2-[2-[1,3-bis(2-oxopropoxy)propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide
CID 21337732
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
CID 21337734
N-[1,3-bis[2-(methylamino)-2-oxoethoxy]propan-2-yl]-2-[2-[2-[1,3-bis[2-(methylamino)-2-oxoethoxy]propan-2-ylamino]-2-oxoethoxy]ethoxy]acetamide
CID 60076376
2-[3-[2-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]-N-methylacetamide
CID 88940365
2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-Hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
CID 123291674
2-[3-[2-[[2-[3-[2-[[2-[2-(2-Hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
CID 123733768
2-[3-[2-[[2-[2-[2-[2-[[2-[2-(2-Hydrazinylethoxy)ethoxy]acetyl]amino]hydrazinyl]ethoxy]ethoxy]acetyl]amino]ethoxy]propoxy]acetamide
CID 123890184
2-[2-[3-[2-[[2-[3-(2-methoxyethoxy)propoxy]acetyl]amino]ethoxy]propoxy]ethoxy]-N-methylacetamide
CID 135179310
N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 143266942
molecular hydrogen;N-propan-2-yl-2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 157048845
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide;molecular hydrogen
CID 162749842
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 162749843

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide (CID 59101699) is 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide is CCOCC(COCC)NC(=O)COCCOCC(=O)NN(COCC)COCC.
What is the InChIKey of 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide?
The InChIKey is PDBSTKOJKSEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O8/c1-5-25-11-17(12-26-6-2)20-18(23)13-29-9-10-30-14-19(24)21-22(15-27-7-3)16-28-8-4/h17H,5-16H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide?
2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide has a molecular weight of 437.53 g/mol, XLogP of -0.10, 21 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,2-bis(ethoxymethyl)hydrazinyl]-2-oxoethoxy]ethoxy]-N-(1,3-diethoxypropan-2-yl)acetamide is sourced from PubChem (CID 59101699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).