2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one

C14H27NO2 — CID 176576809

IUPAC2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one
SMILESCC(C)C(=O)CCCCCNCC(=O)C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)13(16)8-6-5-7-9-15-10-14(17)12(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyYKVCAIZSLLBQNP-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.59
Rot. Bonds10

About 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one

2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one (PubChem CID 176576809) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one.

Molecular Properties

Compound Name2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one
PubChem CID176576809
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one
SMILESCC(C)C(=O)CCCCCNCC(=O)C(C)C
InChIInChI=1S/C14H27NO2/c1-11(2)13(16)8-6-5-7-9-15-10-14(17)12(3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyYKVCAIZSLLBQNP-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;N-(10-methyl-9-oxoundecyl)formamide
CID 176664599
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CID 167573684
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CID 170246304
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
(6-methyl-5-oxoheptyl)carbamothioic S-acid
CID 138728799
9-methyl-8-oxodecanamide
CID 168891746
2-methylhexadecan-3-one
CID 58030381
14-methylpentadecane-2,13-dione
CID 88544438
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one?
The IUPAC name of 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one (CID 176576809) is 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one.
What is the SMILES notation for 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one?
The canonical SMILES for 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one is CC(C)C(=O)CCCCCNCC(=O)C(C)C.
What is the InChIKey of 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one?
The InChIKey is YKVCAIZSLLBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)13(16)8-6-5-7-9-15-10-14(17)12(3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one?
2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one has a molecular weight of 241.38 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one is sourced from PubChem (CID 176576809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).