N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide

C30H32N6O6 — CID 3359263

IUPACN-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C30H32N6O6/c37-25(31-19-21-7-3-1-4-8-21)15-17-27(39)33-35-29(41)23-11-13-24(14-12-23)30(42)36-34-28(40)18-16-26(38)32-20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
InChIKeyZENHDZUIFKDIRC-UHFFFAOYSA-N
MW572.62 g/mol
LogP1.40
Rot. Bonds12

About N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide (PubChem CID 3359263) has the molecular formula C30H32N6O6 and a molecular weight of 572.62 g/mol. Its IUPAC name is N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
PubChem CID3359263
Molecular FormulaC30H32N6O6
Molecular Weight572.62 g/mol
Exact Mass572.24
IUPAC NameN-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C30H32N6O6/c37-25(31-19-21-7-3-1-4-8-21)15-17-27(39)33-35-29(41)23-11-13-24(14-12-23)30(42)36-34-28(40)18-16-26(38)32-20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
InChIKeyZENHDZUIFKDIRC-UHFFFAOYSA-N
XLogP1.40
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 51.40
H-Bond Donors ≤ 56
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-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
CID 3334492
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
CID 4956632
N-benzyl-4-[2-(2-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
CID 3284801
N'-benzylbutanediamide
CID 4682951
N-benzyl-4-[2-[3-(2-chlorophenyl)propanoyl]hydrazinyl]-4-oxobutanamide
CID 17179143
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
4-(2-benzoylhydrazinyl)-4-oxobutanoate
CID 2165242
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-4-[2-[2-(4-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxobutanamide
CID 3975878
N-benzyl-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide
CID 5089637

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide (CID 3359263) is N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)c1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is ZENHDZUIFKDIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O6/c37-25(31-19-21-7-3-1-4-8-21)15-17-27(39)33-35-29(41)23-11-13-24(14-12-23)30(42)36-34-28(40)18-16-26(38)32-20-22-9-5-2-6-10-22/h1-14H,15-20H2,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42).
What are the key properties of N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 572.62 g/mol, XLogP of 1.40, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3359263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).