1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide

C24H21N3O2 — CID 110526774

IUPAC1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
SMILESCn1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-22-10-6-5-9-20(22)15-23(27)24(28)26-25-16-18-11-13-21(14-12-18)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,26,28)/b25-16+
InChIKeyMQFWWCLWXLZFKH-PCLIKHOPSA-N
MW383.45 g/mol
LogP4.52
Rot. Bonds6

About 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide

1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide (PubChem CID 110526774) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
PubChem CID110526774
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
SMILESCn1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc2ccccc21
InChIInChI=1S/C24H21N3O2/c1-27-22-10-6-5-9-20(22)15-23(27)24(28)26-25-16-18-11-13-21(14-12-18)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,26,28)/b25-16+
InChIKeyMQFWWCLWXLZFKH-PCLIKHOPSA-N
XLogP4.52
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
CID 110526717
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(E)-(3,5-dichloro-4-propoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526822
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide (CID 110526774) is 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide is Cn1c(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide?
The InChIKey is MQFWWCLWXLZFKH-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-27-22-10-6-5-9-20(22)15-23(27)24(28)26-25-16-18-11-13-21(14-12-18)29-17-19-7-3-2-4-8-19/h2-16H,17H2,1H3,(H,26,28)/b25-16+.
What are the key properties of 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide?
1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide is sourced from PubChem (CID 110526774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).