N-(3,5-dimethylphenyl)-N-formyldodecanamide

C21H33NO2 — CID 90735362

IUPACN-(3,5-dimethylphenyl)-N-formyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H33NO2/c1-4-5-6-7-8-9-10-11-12-13-21(24)22(17-23)20-15-18(2)14-19(3)16-20/h14-17H,4-13H2,1-3H3
InChIKeyXZOGDYBJYSDTSN-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.71
Rot. Bonds12

About N-(3,5-dimethylphenyl)-N-formyldodecanamide

N-(3,5-dimethylphenyl)-N-formyldodecanamide (PubChem CID 90735362) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-formyldodecanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-formyldodecanamide
PubChem CID90735362
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC NameN-(3,5-dimethylphenyl)-N-formyldodecanamide
SMILESCCCCCCCCCCCC(=O)N(C=O)c1cc(C)cc(C)c1
InChIInChI=1S/C21H33NO2/c1-4-5-6-7-8-9-10-11-12-13-21(24)22(17-23)20-15-18(2)14-19(3)16-20/h14-17H,4-13H2,1-3H3
InChIKeyXZOGDYBJYSDTSN-UHFFFAOYSA-N
XLogP5.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
hexanoic acid;1,4-xylene
CID 23205671
(2,3,5-trimethylphenyl) octanoate
CID 177246695
N-methyl-N-phenylnonanamide
CID 54136731
(3-heptanoyloxy-5-methylphenyl) heptanoate;(3-hexanoyloxy-5-methylphenyl) hexanoate
CID 177246744
1-(2,4,6-trimethylphenyl)undecan-2-one
CID 114966039
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
formic acid;icosanoic acid
CID 161473849
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-formyldodecanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-formyldodecanamide (CID 90735362) is N-(3,5-dimethylphenyl)-N-formyldodecanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-formyldodecanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-formyldodecanamide is CCCCCCCCCCCC(=O)N(C=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-formyldodecanamide?
The InChIKey is XZOGDYBJYSDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-4-5-6-7-8-9-10-11-12-13-21(24)22(17-23)20-15-18(2)14-19(3)16-20/h14-17H,4-13H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-formyldodecanamide?
N-(3,5-dimethylphenyl)-N-formyldodecanamide has a molecular weight of 331.50 g/mol, XLogP of 5.71, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-formyldodecanamide is sourced from PubChem (CID 90735362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).