2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid

C20H40N2O4 — CID 134502976

IUPAC2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
SMILESCNC(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C20H40N2O4/c1-17(2,14-18(3,4)16(24)25)15(23)22-12-10-20(7,8)26-13-11-19(5,6)21-9/h21H,10-14H2,1-9H3,(H,22,23)(H,24,25)
InChIKeyREXZTSMYWFPAEX-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.20
Rot. Bonds12

About 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid

2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid (PubChem CID 134502976) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
PubChem CID134502976
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Name2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid
SMILESCNC(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)C(=O)O
InChIInChI=1S/C20H40N2O4/c1-17(2,14-18(3,4)16(24)25)15(23)22-12-10-20(7,8)26-13-11-19(5,6)21-9/h21H,10-14H2,1-9H3,(H,22,23)(H,24,25)
InChIKeyREXZTSMYWFPAEX-UHFFFAOYSA-N
XLogP3.20
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid 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

2,2-dimethyl-N-[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]-4-(2-methylpentan-2-yloxy)butanamide;ethane
CID 162756506
2,2,4,4-tetramethyl-5-[[4-[2-methyl-4-(3-methylbutanoylamino)butan-2-yl]oxy-2-sulfanylbutan-2-yl]amino]-5-oxopentanoic acid
CID 134502945
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
N-(2-aminoethyl)-2,2-dimethyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutanamide
CID 129027495
3-methyl-N-(3-methylbutyl)-3-[3-methyl-3-(methylamino)butoxy]butanamide
CID 134502890
N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
CID 162756252
5-(2,5-dioxopyrrol-1-yl)-2,2,4,4-tetramethyl-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]pentanamide
CID 177144711
3-methyl-3-(methylamino)butan-1-ol;2,2,4,4-tetramethyl-5-[4-[2-methyl-4-(3-methylbutylamino)-4-oxobutan-2-yl]oxybutan-2-ylamino]sulfanyl-5-oxopentanoic acid
CID 145279244
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]acetamide
CID 142467765
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
N-[3-(3-acetamido-3-methylbutoxy)-3-methylbutyl]-2-methylpropanamide;ethane
CID 166141093
2-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxyethylcarbamic acid
CID 123941511

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid?
The IUPAC name of 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid (CID 134502976) is 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid is CNC(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid?
The InChIKey is REXZTSMYWFPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4/c1-17(2,14-18(3,4)16(24)25)15(23)22-12-10-20(7,8)26-13-11-19(5,6)21-9/h21H,10-14H2,1-9H3,(H,22,23)(H,24,25).
What are the key properties of 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid?
2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid has a molecular weight of 372.55 g/mol, XLogP of 3.20, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-5-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 134502976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).