5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide

C18H36N2O2 — CID 91001837

IUPAC5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide
SMILESCCC(CCCC(N)C(=O)C(C)CC(N)=O)C(C)(CC)CC
InChIInChI=1S/C18H36N2O2/c1-6-14(18(5,7-2)8-3)10-9-11-15(19)17(22)13(4)12-16(20)21/h13-15H,6-12,19H2,1-5H3,(H2,20,21)
InChIKeyTZQVZEWHGNUKMG-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.42
Rot. Bonds12

About 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide

5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide (PubChem CID 91001837) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide.

Molecular Properties

Compound Name5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide
PubChem CID91001837
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide
SMILESCCC(CCCC(N)C(=O)C(C)CC(N)=O)C(C)(CC)CC
InChIInChI=1S/C18H36N2O2/c1-6-14(18(5,7-2)8-3)10-9-11-15(19)17(22)13(4)12-16(20)21/h13-15H,6-12,19H2,1-5H3,(H2,20,21)
InChIKeyTZQVZEWHGNUKMG-UHFFFAOYSA-N
XLogP3.42
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide?
The IUPAC name of 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide (CID 91001837) is 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide.
What is the SMILES notation for 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide?
The canonical SMILES for 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide is CCC(CCCC(N)C(=O)C(C)CC(N)=O)C(C)(CC)CC.
What is the InChIKey of 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide?
The InChIKey is TZQVZEWHGNUKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-6-14(18(5,7-2)8-3)10-9-11-15(19)17(22)13(4)12-16(20)21/h13-15H,6-12,19H2,1-5H3,(H2,20,21).
What are the key properties of 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide?
5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide has a molecular weight of 312.50 g/mol, XLogP of 3.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-9,10-diethyl-3,10-dimethyl-4-oxododecanamide is sourced from PubChem (CID 91001837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).