N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide

C18H17N3O2 — CID 135647008

IUPACN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12(16-11-19-17-6-4-3-5-15(16)17)20-21-18(22)13-7-9-14(23-2)10-8-13/h3-11,19H,1-2H3,(H,21,22)/b20-12+
InChIKeyZXDRHMGCGAPRDA-UDWIEESQSA-N
MW307.35 g/mol
LogP3.33
Rot. Bonds4

About N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide

N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide (PubChem CID 135647008) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
PubChem CID135647008
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12(16-11-19-17-6-4-3-5-15(16)17)20-21-18(22)13-7-9-14(23-2)10-8-13/h3-11,19H,1-2H3,(H,21,22)/b20-12+
InChIKeyZXDRHMGCGAPRDA-UDWIEESQSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6260157
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[1-(1H-indol-3-yl)ethylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 136914383
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide (CID 135647008) is N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide?
The InChIKey is ZXDRHMGCGAPRDA-UDWIEESQSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(16-11-19-17-6-4-3-5-15(16)17)20-21-18(22)13-7-9-14(23-2)10-8-13/h3-11,19H,1-2H3,(H,21,22)/b20-12+.
What are the key properties of N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide?
N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 135647008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).