N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide

C16H32N2O — CID 86967243

IUPACN-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide
SMILESCC1CCC(C(C)C)N(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)15-8-7-14(5)9-10-18(15)11-16(19)17(6)13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJQDSORLJFKWRMD-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.00
Rot. Bonds4

About N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide

N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide (PubChem CID 86967243) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide
PubChem CID86967243
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide
SMILESCC1CCC(C(C)C)N(CC(=O)N(C)C(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-12(2)15-8-7-14(5)9-10-18(15)11-16(19)17(6)13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyJQDSORLJFKWRMD-UHFFFAOYSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide (CID 86967243) is N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide is CC1CCC(C(C)C)N(CC(=O)N(C)C(C)C)CC1.
What is the InChIKey of N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide?
The InChIKey is JQDSORLJFKWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)15-8-7-14(5)9-10-18(15)11-16(19)17(6)13(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide?
N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide has a molecular weight of 268.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-2-propan-2-ylazepan-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 86967243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).