2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide

C26H28N2O5 — CID 45076837

IUPAC2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C(C)C)c(OC)c1
InChIInChI=1S/C26H28N2O5/c1-17(2)24(28-25(29)22-15-14-21(31-3)16-23(22)32-4)26(30)27-18-10-12-20(13-11-18)33-19-8-6-5-7-9-19/h5-17,24H,1-4H3,(H,27,30)(H,28,29)
InChIKeyKPKLSPKLAZBMQM-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.89
Rot. Bonds9

About 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide

2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide (PubChem CID 45076837) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
PubChem CID45076837
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C(C)C)c(OC)c1
InChIInChI=1S/C26H28N2O5/c1-17(2)24(28-25(29)22-15-14-21(31-3)16-23(22)32-4)26(30)27-18-10-12-20(13-11-18)33-19-8-6-5-7-9-19/h5-17,24H,1-4H3,(H,27,30)(H,28,29)
InChIKeyKPKLSPKLAZBMQM-UHFFFAOYSA-N
XLogP4.89
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 42703785
N-[(2S)-1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29195554
N-[(2S)-1-(4-iodoanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 29204396
(2R)-2-(2,4-dimethoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 25385741
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
2,4-dimethoxy-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4133565
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)butan-2-yl]benzamide
CID 9034878
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 51332897
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide (CID 45076837) is 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)Nc2ccc(Oc3ccccc3)cc2)C(C)C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide?
The InChIKey is KPKLSPKLAZBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-17(2)24(28-25(29)22-15-14-21(31-3)16-23(22)32-4)26(30)27-18-10-12-20(13-11-18)33-19-8-6-5-7-9-19/h5-17,24H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide?
2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[3-methyl-1-oxo-1-(4-phenoxyanilino)butan-2-yl]benzamide is sourced from PubChem (CID 45076837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).