N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide

C24H24N2O3 — CID 109041002

IUPACN-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18(27)20-7-9-22(10-8-20)26-24(28)15-16-25-21-11-13-23(14-12-21)29-17-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyJPBSOMFSVWKUFO-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.91
Rot. Bonds9

About N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide

N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide (PubChem CID 109041002) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
PubChem CID109041002
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
SMILESCC(=O)c1ccc(NC(=O)CCNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-18(27)20-7-9-22(10-8-20)26-24(28)15-16-25-21-11-13-23(14-12-21)29-17-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,28)
InChIKeyJPBSOMFSVWKUFO-UHFFFAOYSA-N
XLogP4.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
N-(2-methoxyethyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109015111
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide (CID 109041002) is N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide is CC(=O)c1ccc(NC(=O)CCNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide?
The InChIKey is JPBSOMFSVWKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18(27)20-7-9-22(10-8-20)26-24(28)15-16-25-21-11-13-23(14-12-21)29-17-19-5-3-2-4-6-19/h2-14,25H,15-17H2,1H3,(H,26,28).
What are the key properties of N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide?
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide is sourced from PubChem (CID 109041002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).