2-methyl-N-(9-methyl-8-oxodecyl)propanamide

C15H29NO2 — CID 167573684

IUPAC2-methyl-N-(9-methyl-8-oxodecyl)propanamide
SMILESCC(C)C(=O)CCCCCCCNC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)14(17)10-8-6-5-7-9-11-16-15(18)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKeyBKZUKOOFWOBTMW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.32
Rot. Bonds10

About 2-methyl-N-(9-methyl-8-oxodecyl)propanamide

2-methyl-N-(9-methyl-8-oxodecyl)propanamide (PubChem CID 167573684) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-N-(9-methyl-8-oxodecyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(9-methyl-8-oxodecyl)propanamide
PubChem CID167573684
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-N-(9-methyl-8-oxodecyl)propanamide
SMILESCC(C)C(=O)CCCCCCCNC(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-12(2)14(17)10-8-6-5-7-9-11-16-15(18)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKeyBKZUKOOFWOBTMW-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
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
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
2-methyl-8-[(3-methyl-2-oxobutyl)amino]octan-3-one
CID 176576809
2-methyl-N-(6-oxooct-7-enyl)propanamide
CID 58298973
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(9-methyl-8-oxodecyl)propanamide?
The IUPAC name of 2-methyl-N-(9-methyl-8-oxodecyl)propanamide (CID 167573684) is 2-methyl-N-(9-methyl-8-oxodecyl)propanamide.
What is the SMILES notation for 2-methyl-N-(9-methyl-8-oxodecyl)propanamide?
The canonical SMILES for 2-methyl-N-(9-methyl-8-oxodecyl)propanamide is CC(C)C(=O)CCCCCCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(9-methyl-8-oxodecyl)propanamide?
The InChIKey is BKZUKOOFWOBTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)14(17)10-8-6-5-7-9-11-16-15(18)13(3)4/h12-13H,5-11H2,1-4H3,(H,16,18).
What are the key properties of 2-methyl-N-(9-methyl-8-oxodecyl)propanamide?
2-methyl-N-(9-methyl-8-oxodecyl)propanamide has a molecular weight of 255.40 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(9-methyl-8-oxodecyl)propanamide is sourced from PubChem (CID 167573684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).