3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

C22H25N3O3 — CID 6900645

IUPAC3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1OC
InChIInChI=1S/C22H25N3O3/c1-22(2)16-8-6-7-9-17(16)25(3)20(22)12-13-23-24-21(26)15-10-11-18(27-4)19(14-15)28-5/h6-14H,1-5H3,(H,24,26)/b20-12+,23-13+
InChIKeySGJCEXCRHKBWSP-WCEDTRLTSA-N
MW379.46 g/mol
LogP3.73
Rot. Bonds5

About 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide (PubChem CID 6900645) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
PubChem CID6900645
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
SMILESCOc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1OC
InChIInChI=1S/C22H25N3O3/c1-22(2)16-8-6-7-9-17(16)25(3)20(22)12-13-23-24-21(26)15-10-11-18(27-4)19(14-15)28-5/h6-14H,1-5H3,(H,24,26)/b20-12+,23-13+
InChIKeySGJCEXCRHKBWSP-WCEDTRLTSA-N
XLogP3.73
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(3,4-dimethoxyphenyl)-3-[(Z)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]thiourea
CID 7956155
4-nitro-N-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 15945089
2-(2-methoxyanilino)-N-[(Z)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6277923
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
2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
CID 3956805
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
4-(3,4-dimethoxyphenyl)-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 4121786
N-(4-methylphenyl)-N'-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 9155558
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(Z,4E)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide
CID 2417787
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide (CID 6900645) is 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide is COc1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
The InChIKey is SGJCEXCRHKBWSP-WCEDTRLTSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-22(2)16-8-6-7-9-17(16)25(3)20(22)12-13-23-24-21(26)15-10-11-18(27-4)19(14-15)28-5/h6-14H,1-5H3,(H,24,26)/b20-12+,23-13+.
What are the key properties of 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide?
3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(E)-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide is sourced from PubChem (CID 6900645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).