3-oxo-N-(3-phenoxyphenyl)dodecanamide

C24H31NO3 — CID 71475050

IUPAC3-oxo-N-(3-phenoxyphenyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H31NO3/c1-2-3-4-5-6-7-9-14-21(26)19-24(27)25-20-13-12-17-23(18-20)28-22-15-10-8-11-16-22/h8,10-13,15-18H,2-7,9,14,19H2,1H3,(H,25,27)
InChIKeyZERDRIRJMRBHPO-UHFFFAOYSA-N
MW381.52 g/mol
LogP6.52
Rot. Bonds13

About 3-oxo-N-(3-phenoxyphenyl)dodecanamide

3-oxo-N-(3-phenoxyphenyl)dodecanamide (PubChem CID 71475050) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-oxo-N-(3-phenoxyphenyl)dodecanamide.

Molecular Properties

Compound Name3-oxo-N-(3-phenoxyphenyl)dodecanamide
PubChem CID71475050
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name3-oxo-N-(3-phenoxyphenyl)dodecanamide
SMILESCCCCCCCCCC(=O)CC(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H31NO3/c1-2-3-4-5-6-7-9-14-21(26)19-24(27)25-20-13-12-17-23(18-20)28-22-15-10-8-11-16-22/h8,10-13,15-18H,2-7,9,14,19H2,1H3,(H,25,27)
InChIKeyZERDRIRJMRBHPO-UHFFFAOYSA-N
XLogP6.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
5-oxo-N-phenylheptadecanamide
CID 3308902
2-[butyl-[2-oxo-2-(3-phenoxyanilino)ethyl]amino]acetamide
CID 60508723
N-phenylpentacosanamide
CID 19025260
phenoxybenzene;tetradecanoic acid
CID 175422794
N-phenylheptatetracontanamide
CID 150503307
N-heptyl-3-phenoxyaniline
CID 63455448
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-[3-(2-ethoxyethoxy)phenyl]tetradecanamide
CID 54789458
N-(2-phenoxyphenyl)decanamide
CID 4091110

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(3-phenoxyphenyl)dodecanamide?
The IUPAC name of 3-oxo-N-(3-phenoxyphenyl)dodecanamide (CID 71475050) is 3-oxo-N-(3-phenoxyphenyl)dodecanamide.
What is the SMILES notation for 3-oxo-N-(3-phenoxyphenyl)dodecanamide?
The canonical SMILES for 3-oxo-N-(3-phenoxyphenyl)dodecanamide is CCCCCCCCCC(=O)CC(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-oxo-N-(3-phenoxyphenyl)dodecanamide?
The InChIKey is ZERDRIRJMRBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-2-3-4-5-6-7-9-14-21(26)19-24(27)25-20-13-12-17-23(18-20)28-22-15-10-8-11-16-22/h8,10-13,15-18H,2-7,9,14,19H2,1H3,(H,25,27).
What are the key properties of 3-oxo-N-(3-phenoxyphenyl)dodecanamide?
3-oxo-N-(3-phenoxyphenyl)dodecanamide has a molecular weight of 381.52 g/mol, XLogP of 6.52, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(3-phenoxyphenyl)dodecanamide is sourced from PubChem (CID 71475050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).