3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide

C20H29N3O6 — CID 4833062

IUPAC3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
SMILESCOCCN1C(=O)CC(NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1=O
InChIInChI=1S/C20H29N3O6/c1-13(2)7-9-29-16-6-5-14(11-17(16)28-4)19(25)22-21-15-12-18(24)23(20(15)26)8-10-27-3/h5-6,11,13,15,21H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyRGQLCBIJCQZSNI-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.13
Rot. Bonds11

About 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide

3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide (PubChem CID 4833062) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
PubChem CID4833062
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide
SMILESCOCCN1C(=O)CC(NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1=O
InChIInChI=1S/C20H29N3O6/c1-13(2)7-9-29-16-6-5-14(11-17(16)28-4)19(25)22-21-15-12-18(24)23(20(15)26)8-10-27-3/h5-6,11,13,15,21H,7-10,12H2,1-4H3,(H,22,25)
InChIKeyRGQLCBIJCQZSNI-UHFFFAOYSA-N
XLogP1.13
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
CID 24609588
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
3,4-dimethoxy-N'-[(3R)-1-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2119915
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24624494
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877
3-methoxy-4-(3-methylbutoxy)-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823546
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide (CID 4833062) is 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide is COCCN1C(=O)CC(NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1=O.
What is the InChIKey of 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is RGQLCBIJCQZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-13(2)7-9-29-16-6-5-14(11-17(16)28-4)19(25)22-21-15-12-18(24)23(20(15)26)8-10-27-3/h5-6,11,13,15,21H,7-10,12H2,1-4H3,(H,22,25).
What are the key properties of 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide?
3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 407.47 g/mol, XLogP of 1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 4833062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).