N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

C22H25N3O4 — CID 110526723

IUPACN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC
InChIInChI=1S/C22H25N3O4/c1-5-10-29-21-19(27-3)11-15(12-20(21)28-4)14-23-24-22(26)18-13-16-8-6-7-9-17(16)25(18)2/h6-9,11-14H,5,10H2,1-4H3,(H,24,26)/b23-14+
InChIKeyCHQVHFOZXRAEEE-OEAKJJBVSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds8

About N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide

N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (PubChem CID 110526723) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
PubChem CID110526723
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
SMILESCCCOc1c(OC)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC
InChIInChI=1S/C22H25N3O4/c1-5-10-29-21-19(27-3)11-15(12-20(21)28-4)14-23-24-22(26)18-13-16-8-6-7-9-17(16)25(18)2/h6-9,11-14H,5,10H2,1-4H3,(H,24,26)/b23-14+
InChIKeyCHQVHFOZXRAEEE-OEAKJJBVSA-N
XLogP3.75
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
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-[(E)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526822
N-[(E)-(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526834
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(E)-(3-chloro-5-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526800
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110507170
N-[(E)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526746
1-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-3-phenylurea
CID 110508753
4-amino-N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 110514915
[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]urea
CID 110539433
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
CID 110526717
4-ethoxy-N-[(Z)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 29148846
3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide (CID 110526723) is N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is CCCOc1c(OC)cc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1OC.
What is the InChIKey of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
The InChIKey is CHQVHFOZXRAEEE-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-5-10-29-21-19(27-3)11-15(12-20(21)28-4)14-23-24-22(26)18-13-16-8-6-7-9-17(16)25(18)2/h6-9,11-14H,5,10H2,1-4H3,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide?
N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110526723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).