N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide

C24H29N3O5 — CID 69298525

IUPACN-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
SMILESCCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(OC)c(C)c(OC)c1)C(C)(C)C#N
InChIInChI=1S/C24H29N3O5/c1-8-17-18(10-9-11-19(17)30-5)22(28)26-27(24(3,4)14-25)23(29)16-12-20(31-6)15(2)21(13-16)32-7/h9-13H,8H2,1-7H3,(H,26,28)
InChIKeyRMVYIFAOADLMKE-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.67
Rot. Bonds7

About N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide

N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide (PubChem CID 69298525) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
PubChem CID69298525
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
SMILESCCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(OC)c(C)c(OC)c1)C(C)(C)C#N
InChIInChI=1S/C24H29N3O5/c1-8-17-18(10-9-11-19(17)30-5)22(28)26-27(24(3,4)14-25)23(29)16-12-20(31-6)15(2)21(13-16)32-7/h9-13H,8H2,1-7H3,(H,26,28)
InChIKeyRMVYIFAOADLMKE-UHFFFAOYSA-N
XLogP3.67
TPSA100.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N'-(3-bromobenzoyl)-N'-(2-cyanopropan-2-yl)-2-ethyl-3-methoxybenzohydrazide
CID 69296109
N'-(3,5-dimethylbenzoyl)-2-ethyl-3-methoxy-N'-(1-methoxy-2-methylpropan-2-yl)benzohydrazide
CID 59838665
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylpentan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66764183
N'-(3,5-dimethylbenzoyl)-N'-(2,2-dimethylhexan-3-yl)-2-ethyl-3-methoxybenzohydrazide
CID 66558029
N'-(3,5-dimethylbenzoyl)-2-ethyl-N'-(1-hydroxy-2-methylpropan-2-yl)-3-methoxybenzohydrazide;[2-[(3,5-dimethylbenzoyl)-[(2-ethyl-3-methoxybenzoyl)amino]amino]-2-methylpropyl] acetate
CID 162146004
N-(2-cyanopropan-2-yl)-N'-(3,5-dimethoxy-4-methylbenzoyl)-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 122552951
N'-[(E)-[3-[tert-butyl-[(2-ethyl-3-methoxybenzoyl)amino]carbamoyl]-5-methylphenyl]methylideneamino]oxamide
CID 10367935
N'-[[3-[tert-butyl-[(2-ethyl-3-methoxybenzoyl)amino]carbamoyl]-5-methylphenyl]methylideneamino]oxamide
CID 77399976
N-[(3S)-2,2-dimethylhexan-3-yl]-3,5-dimethoxy-N'-(3-methoxy-2-methylbenzoyl)-4-methylbenzohydrazide
CID 25141514
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
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2,3-dimethoxybenzohydrazide
CID 101134353
N'-tert-butyl-N'-(3,4-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
CID 22400604

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide?
The IUPAC name of N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide (CID 69298525) is N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide is CCc1c(OC)cccc1C(=O)NN(C(=O)c1cc(OC)c(C)c(OC)c1)C(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide?
The InChIKey is RMVYIFAOADLMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-8-17-18(10-9-11-19(17)30-5)22(28)26-27(24(3,4)14-25)23(29)16-12-20(31-6)15(2)21(13-16)32-7/h9-13H,8H2,1-7H3,(H,26,28).
What are the key properties of N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide?
N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide has a molecular weight of 439.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-N'-(2-ethyl-3-methoxybenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide is sourced from PubChem (CID 69298525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).