3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide

C26H35N3O5 — CID 55891573

IUPAC3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1
InChIInChI=1S/C26H35N3O5/c1-8-26(4,5)29-24(31)17-9-11-19(12-10-17)27-25(32)22(16(2)3)28-23(30)18-13-20(33-6)15-21(14-18)34-7/h9-16,22H,8H2,1-7H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyQCSKOCVNBSNAAP-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.02
Rot. Bonds10

About 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide

3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 55891573) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide
PubChem CID55891573
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Name3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1
InChIInChI=1S/C26H35N3O5/c1-8-26(4,5)29-24(31)17-9-11-19(12-10-17)27-25(32)22(16(2)3)28-23(30)18-13-20(33-6)15-21(14-18)34-7/h9-16,22H,8H2,1-7H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyQCSKOCVNBSNAAP-UHFFFAOYSA-N
XLogP4.02
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
N-[(2S)-1-(3,5-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 34169078
dimethyl 5-[[(2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzene-1,3-dicarboxylate
CID 55930261
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide;hydrochloride
CID 119516055
2-methyl-3-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-3-oxopropanoic acid
CID 122065354
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
3,5-dimethoxy-N-[1-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55350659
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 75440136

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide (CID 55891573) is 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C(NC(=O)c2cc(OC)cc(OC)c2)C(C)C)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide?
The InChIKey is QCSKOCVNBSNAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-8-26(4,5)29-24(31)17-9-11-19(12-10-17)27-25(32)22(16(2)3)28-23(30)18-13-20(33-6)15-21(14-18)34-7/h9-16,22H,8H2,1-7H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide?
3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 469.58 g/mol, XLogP of 4.02, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-methyl-1-[4-(2-methylbutan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55891573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).