N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

C20H23N3O2 — CID 3468743

IUPACN-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-21-23-19(24)15(3)22-20(25)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,25)(H,23,24)
InChIKeyPHZRBIAPXLHJAL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.08
Rot. Bonds6

About N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide

N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (PubChem CID 3468743) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
PubChem CID3468743
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-21-23-19(24)15(3)22-20(25)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,25)(H,23,24)
InChIKeyPHZRBIAPXLHJAL-UHFFFAOYSA-N
XLogP3.08
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-benzylidenehydrazinyl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 3940668
N-[1-oxo-1-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]propan-2-yl]benzamide
CID 3816825
N-[(2R)-1-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 136861943
N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
N-[(1R)-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)-2-[(2E)-2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6867420
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 7784433
N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4532278
N-[(2R)-1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 129439224
4-chloro-N-[4-methyl-1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]pentan-2-yl]benzamide
CID 3526177
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
2-[[2-(4-methoxyphenyl)acetyl]amino]-N-[(4-propan-2-ylphenyl)methylideneamino]propanamide
CID 3953884

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide (CID 3468743) is N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NN=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
The InChIKey is PHZRBIAPXLHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)17-11-9-16(10-12-17)13-21-23-19(24)15(3)22-20(25)18-7-5-4-6-8-18/h4-15H,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide?
N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]propan-2-yl]benzamide is sourced from PubChem (CID 3468743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).