2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide

C15H29NO2 — CID 90165359

IUPAC2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
SMILESCCCCCCC(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-6-7-8-9-10-13(14(17)11(2)3)16-15(18)12(4)5/h11-13H,6-10H2,1-5H3,(H,16,18)
InChIKeyUEMLQCSXWBDROK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.32
Rot. Bonds9

About 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide

2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide (PubChem CID 90165359) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
PubChem CID90165359
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide
SMILESCCCCCCC(NC(=O)C(C)C)C(=O)C(C)C
InChIInChI=1S/C15H29NO2/c1-6-7-8-9-10-13(14(17)11(2)3)16-15(18)12(4)5/h11-13H,6-10H2,1-5H3,(H,16,18)
InChIKeyUEMLQCSXWBDROK-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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

2-amino-N-[1-[(2-methyl-3-oxononan-4-yl)amino]-1-oxoheptan-2-yl]heptanamide
CID 159407083
2,4-dimethyldecan-3-one
CID 79298815
N-[5-(methylamino)-6-[[2-methyl-8-(methylamino)-3-oxooctan-4-yl]amino]-6-oxohexyl]heptanamide
CID 166897489
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
4-butyl-2-methyldecan-3-one
CID 130218662
(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028
2-amino-N-[(2S)-4-amino-1-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]octanamide
CID 139469246
2-methyl-N-nonyldecanamide
CID 141429494
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
N-dodecan-2-ylpropanamide
CID 174988669
3-methylundecan-2-one
CID 12634600
3-methyloctadecan-2-one
CID 89177698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide (CID 90165359) is 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide is CCCCCCC(NC(=O)C(C)C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide?
The InChIKey is UEMLQCSXWBDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-7-8-9-10-13(14(17)11(2)3)16-15(18)12(4)5/h11-13H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide?
2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide has a molecular weight of 255.40 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxodecan-4-yl)propanamide is sourced from PubChem (CID 90165359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).