N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide

C27H38N2O2 — CID 67498293

IUPACN-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide
SMILESCCC[C@H](N(NC(=O)c1ccccc1C)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C
InChIInChI=1S/C27H38N2O2/c1-8-13-24(27(5,6)7)29(28-25(30)23-15-12-11-14-19(23)4)26(31)22-17-20(9-2)16-21(10-3)18-22/h11-12,14-18,24H,8-10,13H2,1-7H3,(H,28,30)/t24-/m0/s1
InChIKeyNJNQKGKAUPYLMN-DEOSSOPVSA-N
MW422.61 g/mol
LogP6.12
Rot. Bonds7

About N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide

N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide (PubChem CID 67498293) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound NameN-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide
PubChem CID67498293
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide
SMILESCCC[C@H](N(NC(=O)c1ccccc1C)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C
InChIInChI=1S/C27H38N2O2/c1-8-13-24(27(5,6)7)29(28-25(30)23-15-12-11-14-19(23)4)26(31)22-17-20(9-2)16-21(10-3)18-22/h11-12,14-18,24H,8-10,13H2,1-7H3,(H,28,30)/t24-/m0/s1
InChIKeyNJNQKGKAUPYLMN-DEOSSOPVSA-N
XLogP6.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide 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'-(2-chlorobenzoyl)-N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethylbenzohydrazide
CID 67499677
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]naphthalene-1-carbohydrazide
CID 25143499
[3-[[(3,5-dimethylbenzoyl)-[(3R)-2,2-dimethylhexan-3-yl]amino]carbamoyl]-2-methylphenyl]boronic acid
CID 86282612
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
2,6-dichloro-N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)benzohydrazide
CID 67495537
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
3-[4-[[(3,5-dimethylbenzoyl)-[(3R)-2,2-dimethylhexan-3-yl]amino]carbamoyl]-2-hydroxy-3-methylphenyl]propylboronic acid
CID 90442184
dichloromethane;3,5-dimethylbenzoyl chloride;N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2,3-dimethylbenzohydrazide;N-(2-ethyl-3,3-dimethylbutyl)-2,3-dimethylbenzamide
CID 158105733
N'-(3,5-dimethylbenzoyl)-N-(2,2-dimethylhexan-3-yl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 67959209
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide?
The IUPAC name of N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide (CID 67498293) is N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide.
What is the SMILES notation for N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide?
The canonical SMILES for N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide is CCC[C@H](N(NC(=O)c1ccccc1C)C(=O)c1cc(CC)cc(CC)c1)C(C)(C)C.
What is the InChIKey of N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide?
The InChIKey is NJNQKGKAUPYLMN-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-8-13-24(27(5,6)7)29(28-25(30)23-15-12-11-14-19(23)4)26(31)22-17-20(9-2)16-21(10-3)18-22/h11-12,14-18,24H,8-10,13H2,1-7H3,(H,28,30)/t24-/m0/s1.
What are the key properties of N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide?
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide has a molecular weight of 422.61 g/mol, XLogP of 6.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-diethyl-N'-(2-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 67498293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).