N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide

C18H31NO4 — CID 146725139

IUPACN-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide
SMILESCN(CC(=O)C(C)(C)C)C(=O)CCC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C18H31NO4/c1-17(2,3)14(21)10-8-13(20)9-11-16(23)19(7)12-15(22)18(4,5)6/h8-12H2,1-7H3
InChIKeyRGFHTIXLWVBXQQ-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.80
Rot. Bonds8

About N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide

N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide (PubChem CID 146725139) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide
PubChem CID146725139
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC NameN-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide
SMILESCN(CC(=O)C(C)(C)C)C(=O)CCC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C18H31NO4/c1-17(2,3)14(21)10-8-13(20)9-11-16(23)19(7)12-15(22)18(4,5)6/h8-12H2,1-7H3
InChIKeyRGFHTIXLWVBXQQ-UHFFFAOYSA-N
XLogP2.80
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide (CID 146725139) is N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide is CN(CC(=O)C(C)(C)C)C(=O)CCC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide?
The InChIKey is RGFHTIXLWVBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-17(2,3)14(21)10-8-13(20)9-11-16(23)19(7)12-15(22)18(4,5)6/h8-12H2,1-7H3.
What are the key properties of N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide?
N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide has a molecular weight of 325.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxobutyl)-N,8,8-trimethyl-4,7-dioxononanamide is sourced from PubChem (CID 146725139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).