N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

C26H27N3O4 — CID 1203053

IUPACN-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C26H27N3O4/c1-17(2)23(26(32)27-19-9-5-4-6-10-19)29-25(31)21-11-7-8-12-22(21)28-24(30)18-13-15-20(33-3)16-14-18/h4-17,23H,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyXVIULLVMDNLWKM-HSZRJFAPSA-N
MW445.52 g/mol
LogP4.34
Rot. Bonds8

About N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide

N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 1203053) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID1203053
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C26H27N3O4/c1-17(2)23(26(32)27-19-9-5-4-6-10-19)29-25(31)21-11-7-8-12-22(21)28-24(30)18-13-15-20(33-3)16-14-18/h4-17,23H,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1
InChIKeyXVIULLVMDNLWKM-HSZRJFAPSA-N
XLogP4.34
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]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
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966
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-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
CID 3123980
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022
ethyl 4-[[(2R)-2-[(2-benzamidobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 41190715
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
N-[(2S,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064286
N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064290
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 1203053) is N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)Nc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is XVIULLVMDNLWKM-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17(2)23(26(32)27-19-9-5-4-6-10-19)29-25(31)21-11-7-8-12-22(21)28-24(30)18-13-15-20(33-3)16-14-18/h4-17,23H,1-3H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 1203053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).