N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide

C26H27N3O5 — CID 46656637

IUPACN'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C26H27N3O5/c1-3-13-34-22-12-11-18(14-23(22)33-2)25(31)27-28-26(32)19-15-24(30)29(16-19)21-10-6-8-17-7-4-5-9-20(17)21/h4-12,14,19H,3,13,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyJCEIFQIROGLNFV-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.45
Rot. Bonds7

About N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 46656637) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
PubChem CID46656637
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1OC
InChIInChI=1S/C26H27N3O5/c1-3-13-34-22-12-11-18(14-23(22)33-2)25(31)27-28-26(32)19-15-24(30)29(16-19)21-10-6-8-17-7-4-5-9-20(17)21/h4-12,14,19H,3,13,15-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyJCEIFQIROGLNFV-UHFFFAOYSA-N
XLogP3.45
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.45
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

1-(2,3-dimethylphenyl)-N'-(3-methoxy-4-propoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656694
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743
(3S)-N-(4,5-dimethoxy-2-methylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26209339
(3S)-N-(2-methoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26914917
N-(2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 46423944
N'-(4-ethoxy-3-methoxybenzoyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 46656734
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(5-chloro-2,4-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42057854
(3R)-N'-(3-chlorobenzoyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 7979073
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
1-(1,3-benzodioxol-5-yl)-N'-(3,4-dimethoxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55581456

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide (CID 46656637) is N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)C2CC(=O)N(c3cccc4ccccc34)C2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is JCEIFQIROGLNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-3-13-34-22-12-11-18(14-23(22)33-2)25(31)27-28-26(32)19-15-24(30)29(16-19)21-10-6-8-17-7-4-5-9-20(17)21/h4-12,14,19H,3,13,15-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 461.52 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 46656637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).