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

C25H33N3O4 — CID 29064290

IUPACN-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)[C@@H](C)CC
InChIInChI=1S/C25H33N3O4/c1-5-7-16-26-25(31)22(17(3)6-2)28-24(30)20-10-8-9-11-21(20)27-23(29)18-12-14-19(32-4)15-13-18/h8-15,17,22H,5-7,16H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)/t17-,22+/m0/s1
InChIKeyGSACPZIOXUCKEN-HTAPYJJXSA-N
MW439.56 g/mol
LogP4.01
Rot. Bonds11

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

N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (PubChem CID 29064290) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
PubChem CID29064290
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
SMILESCCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)[C@@H](C)CC
InChIInChI=1S/C25H33N3O4/c1-5-7-16-26-25(31)22(17(3)6-2)28-24(30)20-10-8-9-11-21(20)27-23(29)18-12-14-19(32-4)15-13-18/h8-15,17,22H,5-7,16H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)/t17-,22+/m0/s1
InChIKeyGSACPZIOXUCKEN-HTAPYJJXSA-N
XLogP4.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.01
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-[(2S,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 29064286
N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 7182295
N-[(2S,3R)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830903
N-[(2R,3S)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830906
(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
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
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-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide (CID 29064290) is N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is CCCCNC(=O)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)[C@@H](C)CC.
What is the InChIKey of N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
The InChIKey is GSACPZIOXUCKEN-HTAPYJJXSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-5-7-16-26-25(31)22(17(3)6-2)28-24(30)20-10-8-9-11-21(20)27-23(29)18-12-14-19(32-4)15-13-18/h8-15,17,22H,5-7,16H2,1-4H3,(H,26,31)(H,27,29)(H,28,30)/t17-,22+/m0/s1.
What are the key properties of N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide?
N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide has a molecular weight of 439.56 g/mol, XLogP of 4.01, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-(butylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide is sourced from PubChem (CID 29064290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).