2,4-dimethyl-N-pentadecan-8-ylpentanamide

C22H45NO — CID 135127559

IUPAC2,4-dimethyl-N-pentadecan-8-ylpentanamide
SMILESCCCCCCCC(CCCCCCC)NC(=O)C(C)CC(C)C
InChIInChI=1S/C22H45NO/c1-6-8-10-12-14-16-21(17-15-13-11-9-7-2)23-22(24)20(5)18-19(3)4/h19-21H,6-18H2,1-5H3,(H,23,24)
InChIKeyIWTLIJUWAANMAY-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.87
Rot. Bonds16

About 2,4-dimethyl-N-pentadecan-8-ylpentanamide

2,4-dimethyl-N-pentadecan-8-ylpentanamide (PubChem CID 135127559) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is 2,4-dimethyl-N-pentadecan-8-ylpentanamide.

Molecular Properties

Compound Name2,4-dimethyl-N-pentadecan-8-ylpentanamide
PubChem CID135127559
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC Name2,4-dimethyl-N-pentadecan-8-ylpentanamide
SMILESCCCCCCCC(CCCCCCC)NC(=O)C(C)CC(C)C
InChIInChI=1S/C22H45NO/c1-6-8-10-12-14-16-21(17-15-13-11-9-7-2)23-22(24)20(5)18-19(3)4/h19-21H,6-18H2,1-5H3,(H,23,24)
InChIKeyIWTLIJUWAANMAY-UHFFFAOYSA-N
XLogP6.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetracosan-7-ylcarbamic acid
CID 174971308
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CID 15021468
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2S)-4-methyl-2-(2-pent-4-enylnonanoylamino)pentanoic acid
CID 156858036
2-methyl-N-[1-(2-octylcyclopropyl)heptadecan-8-yl]hexanamide;propane
CID 144884116
(2S)-2-acetamido-N-(1-hydroxyhexan-2-yl)-4-methylpentanamide
CID 18659589
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
N-tridecan-5-ylprop-2-enamide
CID 141277245
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-pentadecan-8-ylpentanamide?
The IUPAC name of 2,4-dimethyl-N-pentadecan-8-ylpentanamide (CID 135127559) is 2,4-dimethyl-N-pentadecan-8-ylpentanamide.
What is the SMILES notation for 2,4-dimethyl-N-pentadecan-8-ylpentanamide?
The canonical SMILES for 2,4-dimethyl-N-pentadecan-8-ylpentanamide is CCCCCCCC(CCCCCCC)NC(=O)C(C)CC(C)C.
What is the InChIKey of 2,4-dimethyl-N-pentadecan-8-ylpentanamide?
The InChIKey is IWTLIJUWAANMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO/c1-6-8-10-12-14-16-21(17-15-13-11-9-7-2)23-22(24)20(5)18-19(3)4/h19-21H,6-18H2,1-5H3,(H,23,24).
What are the key properties of 2,4-dimethyl-N-pentadecan-8-ylpentanamide?
2,4-dimethyl-N-pentadecan-8-ylpentanamide has a molecular weight of 339.61 g/mol, XLogP of 6.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-pentadecan-8-ylpentanamide is sourced from PubChem (CID 135127559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).