N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide

C23H22N2O2 — CID 17130408

IUPACN-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17(2)16-27-22-11-7-6-10-21(22)23(26)25-20-14-12-19(13-15-20)24-18-8-4-3-5-9-18/h3-15,24H,1,16H2,2H3,(H,25,26)
InChIKeyHTMCBTIKVUHTID-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.64
Rot. Bonds7

About N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide

N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 17130408) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
PubChem CID17130408
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-17(2)16-27-22-11-7-6-10-21(22)23(26)25-20-14-12-19(13-15-20)24-18-8-4-3-5-9-18/h3-15,24H,1,16H2,2H3,(H,25,26)
InChIKeyHTMCBTIKVUHTID-UHFFFAOYSA-N
XLogP5.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
N-[4-(3-acetamidoanilino)phenyl]-2-methoxybenzamide
CID 112988294

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide (CID 17130408) is N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is HTMCBTIKVUHTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17(2)16-27-22-11-7-6-10-21(22)23(26)25-20-14-12-19(13-15-20)24-18-8-4-3-5-9-18/h3-15,24H,1,16H2,2H3,(H,25,26).
What are the key properties of N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide?
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 358.44 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17130408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).