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

C24H31N3O4 — CID 7182295

IUPACN-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C24H31N3O4/c1-5-6-15-25-24(30)21(16(2)3)27-23(29)19-9-7-8-10-20(19)26-22(28)17-11-13-18(31-4)14-12-17/h7-14,16,21H,5-6,15H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t21-/m1/s1
InChIKeyGMWHGPICDUMMGM-OAQYLSRUSA-N
MW425.53 g/mol
LogP3.62
Rot. Bonds10

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

N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 7182295) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID7182295
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C24H31N3O4/c1-5-6-15-25-24(30)21(16(2)3)27-23(29)19-9-7-8-10-20(19)26-22(28)17-11-13-18(31-4)14-12-17/h7-14,16,21H,5-6,15H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t21-/m1/s1
InChIKeyGMWHGPICDUMMGM-OAQYLSRUSA-N
XLogP3.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 3944138
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053
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
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-[2-(2-phenoxyacetyl)hydrazinyl]butan-2-yl]benzamide
CID 3123980
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
N-[(2R,3S)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830906
N-[(2S,3R)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830903
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 7182295) is N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is CCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is GMWHGPICDUMMGM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-5-6-15-25-24(30)21(16(2)3)27-23(29)19-9-7-8-10-20(19)26-22(28)17-11-13-18(31-4)14-12-17/h7-14,16,21H,5-6,15H2,1-4H3,(H,25,30)(H,26,28)(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 7182295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).