1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide

C24H29N3O6 — CID 24553743

IUPAC1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1CC(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CC1=O
InChIInChI=1S/C24H29N3O6/c1-5-32-19-9-7-6-8-18(19)27-14-17(13-22(27)28)24(30)26-25-23(29)16-10-11-20(33-15(2)3)21(12-16)31-4/h6-12,15,17H,5,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyCIRUEFDUBMSSGB-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.70
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide

1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 24553743) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID24553743
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCOc1ccccc1N1CC(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CC1=O
InChIInChI=1S/C24H29N3O6/c1-5-32-19-9-7-6-8-18(19)27-14-17(13-22(27)28)24(30)26-25-23(29)16-10-11-20(33-15(2)3)21(12-16)31-4/h6-12,15,17H,5,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyCIRUEFDUBMSSGB-UHFFFAOYSA-N
XLogP2.70
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7979073
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55543586
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbohydrazide
CID 55616710
N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
CID 46656637
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656694
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
(3S)-1-(2-ethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2684734
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
1-(2-ethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 55350881

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide (CID 24553743) is 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide is CCOc1ccccc1N1CC(C(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is CIRUEFDUBMSSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-5-32-19-9-7-6-8-18(19)27-14-17(13-22(27)28)24(30)26-25-23(29)16-10-11-20(33-15(2)3)21(12-16)31-4/h6-12,15,17H,5,13-14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 455.51 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 24553743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).