N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide

C21H24N2O5 — CID 9328625

IUPACN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-6-15(9-14(13)2)19(24)7-8-20(25)22-23-21(26)16-10-17(27-3)12-18(11-16)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKMBWSIZBWUEPDW-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.74
Rot. Bonds7

About N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide

N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide (PubChem CID 9328625) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
PubChem CID9328625
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)c(C)c2)c1
InChIInChI=1S/C21H24N2O5/c1-13-5-6-15(9-14(13)2)19(24)7-8-20(25)22-23-21(26)16-10-17(27-3)12-18(11-16)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKMBWSIZBWUEPDW-UHFFFAOYSA-N
XLogP2.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]cyclopropanecarbohydrazide
CID 34262952
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N-(2,5-dimethylphenyl)-4-[2-(4-methoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 3342447
4-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]-4-oxobutanamide
CID 55527015
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The IUPAC name of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide (CID 9328625) is N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CCC(=O)c2ccc(C)c(C)c2)c1.
What is the InChIKey of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
The InChIKey is KMBWSIZBWUEPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-5-6-15(9-14(13)2)19(24)7-8-20(25)22-23-21(26)16-10-17(27-3)12-18(11-16)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide?
N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide has a molecular weight of 384.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]-3,5-dimethoxybenzohydrazide is sourced from PubChem (CID 9328625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).