N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide

C20H30N2O4 — CID 72689752

IUPACN'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C=CC(C)(C)C)ccc1OCCC(C)C
InChIInChI=1S/C20H30N2O4/c1-14(2)10-12-26-16-8-7-15(13-17(16)25-6)19(24)22-21-18(23)9-11-20(3,4)5/h7-9,11,13-14H,10,12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyOEXLWKQLXGISQF-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.48
Rot. Bonds7

About N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide

N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide (PubChem CID 72689752) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
PubChem CID72689752
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C=CC(C)(C)C)ccc1OCCC(C)C
InChIInChI=1S/C20H30N2O4/c1-14(2)10-12-26-16-8-7-15(13-17(16)25-6)19(24)22-21-18(23)9-11-20(3,4)5/h7-9,11,13-14H,10,12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyOEXLWKQLXGISQF-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)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

3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-methylthiophene-2-carbohydrazide
CID 30882214
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
1-(2-fluorophenyl)-3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]thiourea
CID 8788648
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
methyl 2-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]-2-methylpentanoate
CID 55670323
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
4-(2-methoxyethylamino)-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-3-nitrobenzohydrazide
CID 24515194
(E)-N-tert-butyl-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 19201281
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389

Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide (CID 72689752) is N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide is COc1cc(C(=O)NNC(=O)C=CC(C)(C)C)ccc1OCCC(C)C.
What is the InChIKey of N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is OEXLWKQLXGISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14(2)10-12-26-16-8-7-15(13-17(16)25-6)19(24)22-21-18(23)9-11-20(3,4)5/h7-9,11,13-14H,10,12H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide?
N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 362.47 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethylpent-2-enoyl)-3-methoxy-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 72689752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).