2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

C27H28N4O6 — CID 27442036

IUPAC2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H28N4O6/c1-4-22(27(35)31-30-25(33)18-11-15-20(37-3)16-12-18)28-26(34)21-7-5-6-8-23(21)29-24(32)17-9-13-19(36-2)14-10-17/h5-16,22H,4H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)(H,31,35)/t22-/m0/s1
InChIKeyYLQMQMKXSYOVTD-QFIPXVFZSA-N
MW504.54 g/mol
LogP2.93
Rot. Bonds9

About 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 27442036) has the molecular formula C27H28N4O6 and a molecular weight of 504.54 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
PubChem CID27442036
Molecular FormulaC27H28N4O6
Molecular Weight504.54 g/mol
Exact Mass504.20
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H28N4O6/c1-4-22(27(35)31-30-25(33)18-11-15-20(37-3)16-12-18)28-26(34)21-7-5-6-8-23(21)29-24(32)17-9-13-19(36-2)14-10-17/h5-16,22H,4H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)(H,31,35)/t22-/m0/s1
InChIKeyYLQMQMKXSYOVTD-QFIPXVFZSA-N
XLogP2.93
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.54
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(2R)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 40836631
N-[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1112023
2-[(4-methoxybenzoyl)amino]-N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3123973
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
2-benzamido-N-[1-(2-benzoylhydrazinyl)-3-methyl-1-oxopentan-2-yl]benzamide
CID 3455596
2-benzamido-N-[1-oxo-1-[2-[2-(1-phenylethylideneamino)oxyacetyl]hydrazinyl]butan-2-yl]benzamide
CID 3481613
(2S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 7828591
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966
2-benzamido-N-[1-(tert-butylamino)-1-oxobutan-2-yl]benzamide
CID 4069315

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 27442036) is 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The InChIKey is YLQMQMKXSYOVTD-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28N4O6/c1-4-22(27(35)31-30-25(33)18-11-15-20(37-3)16-12-18)28-26(34)21-7-5-6-8-23(21)29-24(32)17-9-13-19(36-2)14-10-17/h5-16,22H,4H2,1-3H3,(H,28,34)(H,29,32)(H,30,33)(H,31,35)/t22-/m0/s1.
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 504.54 g/mol, XLogP of 2.93, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 27442036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).