2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide

C20H23N3O2 — CID 3956805

IUPAC2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)c(C)o1
InChIInChI=1S/C20H23N3O2/c1-13-12-15(14(2)25-13)19(24)22-21-11-10-18-20(3,4)16-8-6-7-9-17(16)23(18)5/h6-12H,1-5H3,(H,22,24)
InChIKeyLAXUDZGILOHAQZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.92
Rot. Bonds3

About 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide

2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide (PubChem CID 3956805) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
PubChem CID3956805
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
SMILESCc1cc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)c(C)o1
InChIInChI=1S/C20H23N3O2/c1-13-12-15(14(2)25-13)19(24)22-21-11-10-18-20(3,4)16-8-6-7-9-17(16)23(18)5/h6-12H,1-5H3,(H,22,24)
InChIKeyLAXUDZGILOHAQZ-UHFFFAOYSA-N
XLogP3.92
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]naphthalene-2-carboxamide
CID 4553526
4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 2392923
N'-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 129431621
4-nitro-N-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 15945089
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
1,3-diphenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]pyrazole-4-carboxamide
CID 6906141
1-(cyclopropylmethyl)-3-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]urea
CID 110876822
benzohydrazide;(2Z)-2-(1,3,3-trimethylindol-2-ylidene)acetaldehyde;N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 172948088
3-methyl-1-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]thieno[3,2-d]pyrazole-5-carboxamide
CID 6902021
2-chloro-5-[(2E)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzoate
CID 6901436
2-(4-bromoanilino)-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6900084
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]acetamide
CID 3925042

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide (CID 3956805) is 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide is Cc1cc(C(=O)NN=CC=C2N(C)c3ccccc3C2(C)C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide?
The InChIKey is LAXUDZGILOHAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-12-15(14(2)25-13)19(24)22-21-11-10-18-20(3,4)16-8-6-7-9-17(16)23(18)5/h6-12H,1-5H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide?
2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 3956805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).