N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide

C20H40N2O8 — CID 21337734

IUPACN-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCOCC(COCC)NC(=O)COCCOCC(=O)NC(COCC)COCC
InChIInChI=1S/C20H40N2O8/c1-5-25-11-17(12-26-6-2)21-19(23)15-29-9-10-30-16-20(24)22-18(13-27-7-3)14-28-8-4/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDLXQVIZCMZURJZ-UHFFFAOYSA-N
MW436.55 g/mol
LogP0.14
Rot. Bonds21

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

N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide (PubChem CID 21337734) has the molecular formula C20H40N2O8 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
PubChem CID21337734
Molecular FormulaC20H40N2O8
Molecular Weight436.55 g/mol
Exact Mass436.28
IUPAC NameN-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCOCC(COCC)NC(=O)COCCOCC(=O)NC(COCC)COCC
InChIInChI=1S/C20H40N2O8/c1-5-25-11-17(12-26-6-2)21-19(23)15-29-9-10-30-16-20(24)22-18(13-27-7-3)14-28-8-4/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDLXQVIZCMZURJZ-UHFFFAOYSA-N
XLogP0.14
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide (CID 21337734) is N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide is CCOCC(COCC)NC(=O)COCCOCC(=O)NC(COCC)COCC.
What is the InChIKey of N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is DLXQVIZCMZURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O8/c1-5-25-11-17(12-26-6-2)21-19(23)15-29-9-10-30-16-20(24)22-18(13-27-7-3)14-28-8-4/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide?
N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 436.55 g/mol, XLogP of 0.14, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethoxypropan-2-yl)-2-[2-[2-(1,3-diethoxypropan-2-ylamino)-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 21337734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).