1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide

C24H29N3O5 — CID 46656694

IUPAC1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-5-11-32-20-10-9-17(12-21(20)31-4)23(29)25-26-24(30)18-13-22(28)27(14-18)19-8-6-7-15(2)16(19)3/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyPWMCRRPUFBJDKB-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.91
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide

1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 46656694) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID46656694
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OC
InChIInChI=1S/C24H29N3O5/c1-5-11-32-20-10-9-17(12-21(20)31-4)23(29)25-26-24(30)18-13-22(28)27(14-18)19-8-6-7-15(2)16(19)3/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyPWMCRRPUFBJDKB-UHFFFAOYSA-N
XLogP2.91
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
CID 46656637
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734
(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9056246
(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7979073
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
(3S)-1-(2,3-dimethylphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 26882760
methyl 3-[[(3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylbenzoate
CID 8919927
1-(1,3-benzodioxol-5-yl)-N'-(3,4-dimethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55581456
(3R)-1-(2,3-dimethylphenyl)-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745509
1-(2,3-dimethylphenyl)-N-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 51147058
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide (CID 46656694) is 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1OC.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is PWMCRRPUFBJDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-5-11-32-20-10-9-17(12-21(20)31-4)23(29)25-26-24(30)18-13-22(28)27(14-18)19-8-6-7-15(2)16(19)3/h6-10,12,18H,5,11,13-14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide?
1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 439.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 46656694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).