N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide

C21H23N3O3 — CID 134049178

IUPACN'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-16-7-9-17(10-8-16)20(25)22-23-21(26)19-12-14(2)24(15(19)3)13-18-6-5-11-27-18/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZYGKKLIBKWUSDF-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.38
Rot. Bonds5

About N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide

N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide (PubChem CID 134049178) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
PubChem CID134049178
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-16-7-9-17(10-8-16)20(25)22-23-21(26)19-12-14(2)24(15(19)3)13-18-6-5-11-27-18/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZYGKKLIBKWUSDF-UHFFFAOYSA-N
XLogP3.38
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731544
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-3-carboxamide
CID 34478434
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
(5-methoxycarbonylfuran-2-yl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732098
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
[2-(2,6-diethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731638
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(3-phenylmethoxypropyl)pyrrole-3-carboxamide
CID 33117205

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide (CID 134049178) is N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1.
What is the InChIKey of N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide?
The InChIKey is ZYGKKLIBKWUSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-16-7-9-17(10-8-16)20(25)22-23-21(26)19-12-14(2)24(15(19)3)13-18-6-5-11-27-18/h5-12H,4,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide?
N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide has a molecular weight of 365.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylbenzoyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbohydrazide is sourced from PubChem (CID 134049178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).