N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide

C22H42N2O4 — CID 171621865

IUPACN-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide
SMILESCNC(C)(C)CCOC(C)CCC(=O)NC(CCC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C22H42N2O4/c1-15(2)19(25)11-10-18(21(27)16(3)4)24-20(26)12-9-17(5)28-14-13-22(6,7)23-8/h15-18,23H,9-14H2,1-8H3,(H,24,26)
InChIKeyVYLWXPMVQGZGLW-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.28
Rot. Bonds15

About N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide

N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide (PubChem CID 171621865) has the molecular formula C22H42N2O4 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide
PubChem CID171621865
Molecular FormulaC22H42N2O4
Molecular Weight398.59 g/mol
Exact Mass398.31
IUPAC NameN-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide
SMILESCNC(C)(C)CCOC(C)CCC(=O)NC(CCC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C22H42N2O4/c1-15(2)19(25)11-10-18(21(27)16(3)4)24-20(26)12-9-17(5)28-14-13-22(6,7)23-8/h15-18,23H,9-14H2,1-8H3,(H,24,26)
InChIKeyVYLWXPMVQGZGLW-UHFFFAOYSA-N
XLogP3.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide 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-(2,8-dimethyl-3,7-dioxononan-4-yl)-6-methyl-4-[[6-methyl-5-oxo-4-(sulfanylamino)heptanoyl]amino]-5-oxoheptanamide
CID 137410427
N-[1-[(2,8-dimethyl-3,7-dioxononan-4-yl)amino]-6-methyl-1,5-dioxoheptan-4-yl]-4-(ethylamino)-6-methyl-5-oxoheptanamide
CID 126587157
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propanoylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 146551121
2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
CID 170100793
N-[1-[(3-hydroxy-2,8-dimethyl-7-oxononan-4-yl)amino]-6-methyl-1,5-dioxoheptan-4-yl]-6-methyl-5-oxo-4-(propan-2-ylamino)heptanamide
CID 166897401
2-[[3-methyl-3-[3-methyl-3-(methylamino)butoxy]butanoyl]amino]-5-oxohexanoic acid
CID 167219858
5-methyl-N-[(4S)-2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]-4-oxohexanamide
CID 177095418
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(propan-2-ylamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 176591283
(4S)-6-methyl-5-oxo-4-[(4-oxo-5-propan-2-ylsulfanylhexanoyl)amino]heptanoic acid
CID 159506357
ethane;6-methyl-N-[2-(methylamino)ethyl]-2-[(6-methyl-5-oxoheptanoyl)amino]-5-oxoheptanamide
CID 171621342
(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(deuterioamino)butanoyl]amino]butanoyl]amino]-6-methyl-5-oxoheptanoic acid
CID 176616510
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide?
The IUPAC name of N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide (CID 171621865) is N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide.
What is the SMILES notation for N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide?
The canonical SMILES for N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide is CNC(C)(C)CCOC(C)CCC(=O)NC(CCC(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide?
The InChIKey is VYLWXPMVQGZGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O4/c1-15(2)19(25)11-10-18(21(27)16(3)4)24-20(26)12-9-17(5)28-14-13-22(6,7)23-8/h15-18,23H,9-14H2,1-8H3,(H,24,26).
What are the key properties of N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide?
N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide has a molecular weight of 398.59 g/mol, XLogP of 3.28, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide is sourced from PubChem (CID 171621865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).