N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide

C20H21N3O5 — CID 6879756

IUPACN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1
InChIInChI=1S/C20H21N3O5/c1-25-13-5-6-16(26-2)12(9-13)11-21-23-20(24)15-10-14-17(27-3)7-8-18(28-4)19(14)22-15/h5-11,22H,1-4H3,(H,23,24)/b21-11+
InChIKeyZLLVPIWEOVGPNA-SRZZPIQSSA-N
MW383.40 g/mol
LogP2.97
Rot. Bonds7

About N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide

N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide (PubChem CID 6879756) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
PubChem CID6879756
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c(/C=N/NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1
InChIInChI=1S/C20H21N3O5/c1-25-13-5-6-16(26-2)12(9-13)11-21-23-20(24)15-10-14-17(27-3)7-8-18(28-4)19(14)22-15/h5-11,22H,1-4H3,(H,23,24)/b21-11+
InChIKeyZLLVPIWEOVGPNA-SRZZPIQSSA-N
XLogP2.97
TPSA94.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5402501
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 6865551
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128449
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dihydroxybenzamide;hydrate
CID 139077599
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 5391556
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide (CID 6879756) is N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide is COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)c1.
What is the InChIKey of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is ZLLVPIWEOVGPNA-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-13-5-6-16(26-2)12(9-13)11-21-23-20(24)15-10-14-17(27-3)7-8-18(28-4)19(14)22-15/h5-11,22H,1-4H3,(H,23,24)/b21-11+.
What are the key properties of N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide?
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4,7-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 6879756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).