N-(4-formyl-2-methylphenyl)dodecanamide

C20H31NO2 — CID 54174472

IUPACN-(4-formyl-2-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C=O)cc1C
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-12-20(23)21-19-14-13-18(16-22)15-17(19)2/h13-16H,3-12H2,1-2H3,(H,21,23)
InChIKeyKHLKWIGPRAVUFR-UHFFFAOYSA-N
MW317.47 g/mol
LogP5.67
Rot. Bonds12

About N-(4-formyl-2-methylphenyl)dodecanamide

N-(4-formyl-2-methylphenyl)dodecanamide (PubChem CID 54174472) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is N-(4-formyl-2-methylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(4-formyl-2-methylphenyl)dodecanamide
PubChem CID54174472
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC NameN-(4-formyl-2-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C=O)cc1C
InChIInChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-12-20(23)21-19-14-13-18(16-22)15-17(19)2/h13-16H,3-12H2,1-2H3,(H,21,23)
InChIKeyKHLKWIGPRAVUFR-UHFFFAOYSA-N
XLogP5.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
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

N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(4-fluoro-2-methylphenyl)hexanamide
CID 17069266
N-(4-formamido-2-methylphenyl)pentanamide
CID 168653385
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-2-methylphenyl)dodecanamide?
The IUPAC name of N-(4-formyl-2-methylphenyl)dodecanamide (CID 54174472) is N-(4-formyl-2-methylphenyl)dodecanamide.
What is the SMILES notation for N-(4-formyl-2-methylphenyl)dodecanamide?
The canonical SMILES for N-(4-formyl-2-methylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(C=O)cc1C.
What is the InChIKey of N-(4-formyl-2-methylphenyl)dodecanamide?
The InChIKey is KHLKWIGPRAVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-3-4-5-6-7-8-9-10-11-12-20(23)21-19-14-13-18(16-22)15-17(19)2/h13-16H,3-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-formyl-2-methylphenyl)dodecanamide?
N-(4-formyl-2-methylphenyl)dodecanamide has a molecular weight of 317.47 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-2-methylphenyl)dodecanamide is sourced from PubChem (CID 54174472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).