N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

C24H23NO3 — CID 7696105

IUPACN-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-17-13-19(15-26)14-18(2)24(17)28-16-22(27)25-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,23H,16H2,1-2H3,(H,25,27)
InChIKeyGGDAPJMXHXFKHC-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.40
Rot. Bonds7

About N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide

N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (PubChem CID 7696105) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
PubChem CID7696105
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC NameN-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
SMILESCc1cc(C=O)cc(C)c1OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-17-13-19(15-26)14-18(2)24(17)28-16-22(27)25-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,23H,16H2,1-2H3,(H,25,27)
InChIKeyGGDAPJMXHXFKHC-UHFFFAOYSA-N
XLogP4.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-2,6-dimethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7696271
2-(4-formyl-2,6-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 7696129
N-[2,6-di(propan-2-yl)phenyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696232
N-tert-butyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696240
2-(4-formyl-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60627472
[2-(benzhydrylamino)-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834182
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
N-(2-ethoxyphenyl)-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696063
N-benzhydryl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 7714022
2-(3,4-dimethylphenoxy)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 17447120
N-cyclopropyl-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 26054636
N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide (CID 7696105) is N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is Cc1cc(C=O)cc(C)c1OCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
The InChIKey is GGDAPJMXHXFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-17-13-19(15-26)14-18(2)24(17)28-16-22(27)25-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,23H,16H2,1-2H3,(H,25,27).
What are the key properties of N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide?
N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide has a molecular weight of 373.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-formyl-2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 7696105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).