2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

C23H29N3O4 — CID 3123966

IUPAC2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-14(2)20(23(29)24-15(3)4)26-22(28)18-8-6-7-9-19(18)25-21(27)16-10-12-17(30-5)13-11-16/h6-15,20H,1-5H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyJKQLGNAESJMRBY-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.23
Rot. Bonds8

About 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide (PubChem CID 3123966) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
PubChem CID3123966
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-14(2)20(23(29)24-15(3)4)26-22(28)18-8-6-7-9-19(18)25-21(27)16-10-12-17(30-5)13-11-16/h6-15,20H,1-5H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyJKQLGNAESJMRBY-UHFFFAOYSA-N
XLogP3.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide with MolForge

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053
N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 7182295
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
CID 3123980
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064290
N-[(2S,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064286
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide (CID 3123966) is 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C(=O)NC(C)C)C(C)C)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
The InChIKey is JKQLGNAESJMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14(2)20(23(29)24-15(3)4)26-22(28)18-8-6-7-9-19(18)25-21(27)16-10-12-17(30-5)13-11-16/h6-15,20H,1-5H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 3123966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).