2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide

C18H36N2O2 — CID 126746351

IUPAC2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide
SMILESCC(CCNC(=O)C(C)(C)C)CC(C)(C)CNC(=O)C(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(21)20-12-18(7,8)11-14(3)9-10-19-16(22)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyHYRWKMJUMNNVCZ-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.36
Rot. Bonds8

About 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide

2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide (PubChem CID 126746351) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide
PubChem CID126746351
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide
SMILESCC(CCNC(=O)C(C)(C)C)CC(C)(C)CNC(=O)C(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(21)20-12-18(7,8)11-14(3)9-10-19-16(22)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21)
InChIKeyHYRWKMJUMNNVCZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide (CID 126746351) is 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide is CC(CCNC(=O)C(C)(C)C)CC(C)(C)CNC(=O)C(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide?
The InChIKey is HYRWKMJUMNNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)15(21)20-12-18(7,8)11-14(3)9-10-19-16(22)17(4,5)6/h13-14H,9-12H2,1-8H3,(H,19,22)(H,20,21).
What are the key properties of 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide?
2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide has a molecular weight of 312.50 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3,5,5-trimethyl-6-(2-methylpropanoylamino)hexyl]propanamide is sourced from PubChem (CID 126746351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).