N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide

C20H23N3O3 — CID 143910263

IUPACN-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)C2=CCCc3[nH]ccc32)cc1OCC
InChIInChI=1S/C20H23N3O3/c1-3-25-17-9-8-13(12-18(17)26-4-2)20(24)23-19(21)15-6-5-7-16-14(15)10-11-22-16/h6,8-12,22H,3-5,7H2,1-2H3,(H2,21,23,24)
InChIKeyFOQAPLVCWWWJOQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.34
Rot. Bonds6

About N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide

N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide (PubChem CID 143910263) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide
PubChem CID143910263
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)/N=C(\N)C2=CCCc3[nH]ccc32)cc1OCC
InChIInChI=1S/C20H23N3O3/c1-3-25-17-9-8-13(12-18(17)26-4-2)20(24)23-19(21)15-6-5-7-16-14(15)10-11-22-16/h6,8-12,22H,3-5,7H2,1-2H3,(H2,21,23,24)
InChIKeyFOQAPLVCWWWJOQ-UHFFFAOYSA-N
XLogP3.34
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[amino(naphthalen-1-yl)methylidene]-3,4-diethoxybenzamide
CID 143910203
N-[amino-(5-formyl-3-pyridinyl)methylidene]-3,4-diethoxybenzamide
CID 143910002
3,4-diethoxybenzoyl azide
CID 43307138
bis(3,4-diethoxyphenyl)methanone
CID 135325793
ethyl 3,4-diethoxybenzoate
CID 586407
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
CID 142338278
2-amino-1-(3,4-diethoxyphenyl)ethanone;hydrochloride
CID 131632754
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
1-(3,4-diethoxyphenyl)-2,2-dimethylpropan-1-one
CID 43337638
[(Z)-[amino-(2,4-dichlorophenyl)methylidene]amino] 3,4-diethoxybenzoate
CID 19292090
N-[amino(pyridin-4-yl)methylidene]-2,4-diethoxybenzamide
CID 143910129

Frequently Asked Questions

What is the IUPAC name of N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide?
The IUPAC name of N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide (CID 143910263) is N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide?
The canonical SMILES for N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)/N=C(\N)C2=CCCc3[nH]ccc32)cc1OCC.
What is the InChIKey of N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide?
The InChIKey is FOQAPLVCWWWJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-25-17-9-8-13(12-18(17)26-4-2)20(24)23-19(21)15-6-5-7-16-14(15)10-11-22-16/h6,8-12,22H,3-5,7H2,1-2H3,(H2,21,23,24).
What are the key properties of N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide?
N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(6,7-dihydro-1H-indol-4-yl)methylidene]-3,4-diethoxybenzamide is sourced from PubChem (CID 143910263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).