N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide

C24H46N4O7S2 — CID 167214892

IUPACN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide
SMILESCC(C)SCC(=O)NCCN(CCNC(=O)CSC(C)C)C(=O)CCC(=O)NCCOCCOCCO
InChIInChI=1S/C24H46N4O7S2/c1-19(2)36-17-22(31)25-7-10-28(11-8-26-23(32)18-37-20(3)4)24(33)6-5-21(30)27-9-13-34-15-16-35-14-12-29/h19-20,29H,5-18H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)
InChIKeyHEWFIVHJNZCJJE-UHFFFAOYSA-N
MW566.79 g/mol
LogP0.25
Rot. Bonds23

About N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide (PubChem CID 167214892) has the molecular formula C24H46N4O7S2 and a molecular weight of 566.79 g/mol. Its IUPAC name is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide.

Molecular Properties

Compound NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide
PubChem CID167214892
Molecular FormulaC24H46N4O7S2
Molecular Weight566.79 g/mol
Exact Mass566.28
IUPAC NameN-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide
SMILESCC(C)SCC(=O)NCCN(CCNC(=O)CSC(C)C)C(=O)CCC(=O)NCCOCCOCCO
InChIInChI=1S/C24H46N4O7S2/c1-19(2)36-17-22(31)25-7-10-28(11-8-26-23(32)18-37-20(3)4)24(33)6-5-21(30)27-9-13-34-15-16-35-14-12-29/h19-20,29H,5-18H2,1-4H3,(H,25,31)(H,26,32)(H,27,30)
InChIKeyHEWFIVHJNZCJJE-UHFFFAOYSA-N
XLogP0.25
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.79
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
3-(2-hydroxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide;vanadium
CID 177358681
N-[2-(2-hydroxyethoxy)ethyl]-3-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 88581795
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 131982939
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
(2S)-6-[3-[2-[2-[[4-[bis[2-(3-methylbutanoylamino)ethyl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoylamino]-2-(3-carboxypropanoylamino)hexanoic acid
CID 171467647
N,N'-bis[2-(2-hydroxyethoxy)ethyl]-N'-methylicosanediamide
CID 89140505
5-hydroxy-4-(hydroxymethyl)-N-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 58205613

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide?
The IUPAC name of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide (CID 167214892) is N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide.
What is the SMILES notation for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide?
The canonical SMILES for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide is CC(C)SCC(=O)NCCN(CCNC(=O)CSC(C)C)C(=O)CCC(=O)NCCOCCOCCO.
What is the InChIKey of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide?
The InChIKey is HEWFIVHJNZCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O7S2/c1-19(2)36-17-22(31)25-7-10-28(11-8-26-23(32)18-37-20(3)4)24(33)6-5-21(30)27-9-13-34-15-16-35-14-12-29/h19-20,29H,5-18H2,1-4H3,(H,25,31)(H,26,32)(H,27,30).
What are the key properties of N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide?
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide has a molecular weight of 566.79 g/mol, XLogP of 0.25, 23 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N',N'-bis[2-[(2-propan-2-ylsulfanylacetyl)amino]ethyl]butanediamide is sourced from PubChem (CID 167214892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).