N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide

C20H40N2O4 — CID 21337730

IUPACN-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCC(CC)(CC)NC(=O)COCCOCC(=O)NC(CC)(CC)CC
InChIInChI=1S/C20H40N2O4/c1-7-19(8-2,9-3)21-17(23)15-25-13-14-26-16-18(24)22-20(10-4,11-5)12-6/h7-16H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyBXHJUSZMKFKORR-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.19
Rot. Bonds15

About N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide

N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide (PubChem CID 21337730) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide
PubChem CID21337730
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC NameN-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCC(CC)(CC)NC(=O)COCCOCC(=O)NC(CC)(CC)CC
InChIInChI=1S/C20H40N2O4/c1-7-19(8-2,9-3)21-17(23)15-25-13-14-26-16-18(24)22-20(10-4,11-5)12-6/h7-16H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyBXHJUSZMKFKORR-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide (CID 21337730) is N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide is CCC(CC)(CC)NC(=O)COCCOCC(=O)NC(CC)(CC)CC.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is BXHJUSZMKFKORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-7-19(8-2,9-3)21-17(23)15-25-13-14-26-16-18(24)22-20(10-4,11-5)12-6/h7-16H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide?
N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 372.55 g/mol, XLogP of 3.19, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-[2-[2-(3-ethylpentan-3-ylamino)-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 21337730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).