N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

C25H34N2O3 — CID 174925580

IUPACN'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
SMILESCCC(N(NC(=O)c1cc(C)cc(C)c1)C(=O)c1cccc(OC)c1C)C(C)(C)C
InChIInChI=1S/C25H34N2O3/c1-9-22(25(5,6)7)27(24(29)20-11-10-12-21(30-8)18(20)4)26-23(28)19-14-16(2)13-17(3)15-19/h10-15,22H,9H2,1-8H3,(H,26,28)
InChIKeyATIAEHXBYQGWII-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.23
Rot. Bonds5

About N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide

N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide (PubChem CID 174925580) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
PubChem CID174925580
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
SMILESCCC(N(NC(=O)c1cc(C)cc(C)c1)C(=O)c1cccc(OC)c1C)C(C)(C)C
InChIInChI=1S/C25H34N2O3/c1-9-22(25(5,6)7)27(24(29)20-11-10-12-21(30-8)18(20)4)26-23(28)19-14-16(2)13-17(3)15-19/h10-15,22H,9H2,1-8H3,(H,26,28)
InChIKeyATIAEHXBYQGWII-UHFFFAOYSA-N
XLogP5.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide
CID 25141514
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66558029
N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide
CID 66764185
bis([3-[[(3R)-2,2-dimethylpentan-3-yl]-[(3-methoxy-2-methylbenzoyl)amino]carbamoyl]-5-methylphenyl]boronic acid);N'-[(3R)-2,2-dimethylpentan-3-yl]-3-methoxy-2-methyl-N'-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]benzohydrazide;methane
CID 159839822
N'-(3,5-dimethylbenzoyl)-N-[(3R)-2,2-dimethylpentan-3-yl]-1-hydroxy-6-methyl-3,4-dihydro-2,5,1-benzodioxaborepine-7-carbohydrazide
CID 90408895
N'-(3,5-dimethylbenzoyl)-3-methoxy-N',2-dimethylbenzohydrazide
CID 11771754
N'-(3,5-dimethylbenzoyl)-N'-(3,3-dimethylbutan-2-yl)-3-methoxy-2-methylbenzohydrazide;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpropyl)-2-ethyl-3-methoxybenzohydrazide
CID 161082110
dipotassium;dichloromethane;N-(2,2-dimethylpentan-3-yl)-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide;N-(2-ethyl-3,3-dimethylbutyl)-3-methoxy-2-methylbenzamide;hydride;oxido formate
CID 158546917
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
CID 10065805
[3-[[(3,5-dimethylbenzoyl)-[(3R)-2,2-dimethylhexan-3-yl]amino]carbamoyl]-2-methylphenyl]boronic acid
CID 86282612
N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylhexan-3-yl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 67959209

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The IUPAC name of N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide (CID 174925580) is N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The canonical SMILES for N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide is CCC(N(NC(=O)c1cc(C)cc(C)c1)C(=O)c1cccc(OC)c1C)C(C)(C)C.
What is the InChIKey of N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
The InChIKey is ATIAEHXBYQGWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-9-22(25(5,6)7)27(24(29)20-11-10-12-21(30-8)18(20)4)26-23(28)19-14-16(2)13-17(3)15-19/h10-15,22H,9H2,1-8H3,(H,26,28).
What are the key properties of N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide?
N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide has a molecular weight of 410.56 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylpentan-3-yl)-3-methoxy-2-methylbenzohydrazide is sourced from PubChem (CID 174925580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).