N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide

C26H29N3O2 — CID 46799402

IUPACN-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cc(C)cc(NC(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-17(2)25(30)28-22-12-10-21(11-13-22)27-24(20-8-6-5-7-9-20)26(31)29-23-15-18(3)14-19(4)16-23/h5-17,24,27H,1-4H3,(H,28,30)(H,29,31)
InChIKeyCLGXPKPZMGLPON-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.69
Rot. Bonds7

About N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide

N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 46799402) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
PubChem CID46799402
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
SMILESCc1cc(C)cc(NC(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-17(2)25(30)28-22-12-10-21(11-13-22)27-24(20-8-6-5-7-9-20)26(31)29-23-15-18(3)14-19(4)16-23/h5-17,24,27H,1-4H3,(H,28,30)(H,29,31)
InChIKeyCLGXPKPZMGLPON-UHFFFAOYSA-N
XLogP5.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 8934021
2-(4-fluoroanilino)-N-(4-fluorophenyl)-2-phenylacetamide
CID 46799428
N-(3,5-dimethylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 51179788
(2S)-2-anilino-N-(4-fluorophenyl)-2-phenylacetamide
CID 7830464
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
2-amino-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 24701080
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
N-cyclopropyl-4-[[2-(4-methylanilino)-2-oxo-1-phenylethyl]amino]benzamide
CID 24624066
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide (CID 46799402) is N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide is Cc1cc(C)cc(NC(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)c2ccccc2)c1.
What is the InChIKey of N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is CLGXPKPZMGLPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17(2)25(30)28-22-12-10-21(11-13-22)27-24(20-8-6-5-7-9-20)26(31)29-23-15-18(3)14-19(4)16-23/h5-17,24,27H,1-4H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide?
N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 5.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 46799402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).