8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide

C23H42N2O4 — CID 58223951

IUPAC8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide
SMILESCC(C)C(=O)CCCCCC(=O)NCC(=O)CCCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C23H42N2O4/c1-18(2)21(27)14-10-8-11-15-22(28)24-17-20(26)13-9-6-7-12-16-23(29)25(5)19(3)4/h18-19H,6-17H2,1-5H3,(H,24,28)
InChIKeySTFWKBBNEAFZKT-UHFFFAOYSA-N
MW410.60 g/mol
LogP4.05
Rot. Bonds17

About 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide

8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide (PubChem CID 58223951) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide.

Molecular Properties

Compound Name8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide
PubChem CID58223951
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Name8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide
SMILESCC(C)C(=O)CCCCCC(=O)NCC(=O)CCCCCCC(=O)N(C)C(C)C
InChIInChI=1S/C23H42N2O4/c1-18(2)21(27)14-10-8-11-15-22(28)24-17-20(26)13-9-6-7-12-16-23(29)25(5)19(3)4/h18-19H,6-17H2,1-5H3,(H,24,28)
InChIKeySTFWKBBNEAFZKT-UHFFFAOYSA-N
XLogP4.05
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide with MolForge

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Related Compounds

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
N,9-dimethyl-N-propan-2-yldecanamide
CID 170241261
N,8-dimethyl-N-propan-2-ylnonanamide
CID 170241265
ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878

Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide?
The IUPAC name of 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide (CID 58223951) is 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide.
What is the SMILES notation for 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide?
The canonical SMILES for 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide is CC(C)C(=O)CCCCCC(=O)NCC(=O)CCCCCCC(=O)N(C)C(C)C.
What is the InChIKey of 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide?
The InChIKey is STFWKBBNEAFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-18(2)21(27)14-10-8-11-15-22(28)24-17-20(26)13-9-6-7-12-16-23(29)25(5)19(3)4/h18-19H,6-17H2,1-5H3,(H,24,28).
What are the key properties of 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide?
8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide has a molecular weight of 410.60 g/mol, XLogP of 4.05, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[9-[methyl(propan-2-yl)amino]-2,9-dioxononyl]-7-oxononanamide is sourced from PubChem (CID 58223951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).