N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide

C19H22N4O3 — CID 45059559

IUPACN-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C19H22N4O3/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)19(26)22-16-11-9-15(10-12-16)17(24)23-20/h2-6,9-13H,7-8,20H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBBVGRFAMOKPXLG-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.37
Rot. Bonds6

About N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide

N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide (PubChem CID 45059559) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide.

Molecular Properties

Compound NameN-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
PubChem CID45059559
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
SMILESCC(CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)NN)cc1
InChIInChI=1S/C19H22N4O3/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)19(26)22-16-11-9-15(10-12-16)17(24)23-20/h2-6,9-13H,7-8,20H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyBBVGRFAMOKPXLG-UHFFFAOYSA-N
XLogP1.37
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]acetyl]amino]benzoate
CID 2244064
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-acetamidobenzoate
CID 7654238

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide?
The IUPAC name of N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide (CID 45059559) is N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide.
What is the SMILES notation for N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide?
The canonical SMILES for N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide is CC(CCc1ccccc1)NC(=O)C(=O)Nc1ccc(C(=O)NN)cc1.
What is the InChIKey of N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide?
The InChIKey is BBVGRFAMOKPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(7-8-14-5-3-2-4-6-14)21-18(25)19(26)22-16-11-9-15(10-12-16)17(24)23-20/h2-6,9-13H,7-8,20H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide?
N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide has a molecular weight of 354.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide is sourced from PubChem (CID 45059559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).