N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

C18H18N4O5 — CID 3265549

IUPACN-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1
InChIInChI=1S/C18H18N4O5/c23-16(19-12-13-4-2-1-3-5-13)10-11-17(24)20-21-18(25)14-6-8-15(9-7-14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyLUMWBZHPHRSDOJ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.45
Rot. Bonds7

About N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide

N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3265549) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
PubChem CID3265549
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1
InChIInChI=1S/C18H18N4O5/c23-16(19-12-13-4-2-1-3-5-13)10-11-17(24)20-21-18(25)14-6-8-15(9-7-14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25)
InChIKeyLUMWBZHPHRSDOJ-UHFFFAOYSA-N
XLogP1.45
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide (CID 3265549) is N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is LUMWBZHPHRSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c23-16(19-12-13-4-2-1-3-5-13)10-11-17(24)20-21-18(25)14-6-8-15(9-7-14)22(26)27/h1-9H,10-12H2,(H,19,23)(H,20,24)(H,21,25).
What are the key properties of N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide?
N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 370.37 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-nitrobenzoyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3265549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).