N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide

C22H25N3O — CID 20710287

IUPACN-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide
SMILESC=Cc1ccc(N(C=O)/N=C/C2(C)N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C22H25N3O/c1-6-17-11-13-18(14-12-17)25(16-26)23-15-22(4)21(2,3)19-9-7-8-10-20(19)24(22)5/h6-16H,1H2,2-5H3/b23-15+
InChIKeyUWDSVCMVVAPOTM-HZHRSRAPSA-N
MW347.46 g/mol
LogP4.46
Rot. Bonds5

About N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide

N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide (PubChem CID 20710287) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide.

Molecular Properties

Compound NameN-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide
PubChem CID20710287
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide
SMILESC=Cc1ccc(N(C=O)/N=C/C2(C)N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C22H25N3O/c1-6-17-11-13-18(14-12-17)25(16-26)23-15-22(4)21(2,3)19-9-7-8-10-20(19)24(22)5/h6-16H,1H2,2-5H3/b23-15+
InChIKeyUWDSVCMVVAPOTM-HZHRSRAPSA-N
XLogP4.46
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(2-methoxy-1,3,3-trimethylindol-2-yl)ethenyl]-N,N-dimethylaniline
CID 143745989
2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
CID 175078685
2-ethenyl-5,10-dimethylphenazine
CID 22055360
1-(4-ethenylphenyl)-1,2-diphenylhydrazine
CID 150486079
(2S)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carbaldehyde
CID 139060476
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
N-(4-ethenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 23530073
4-[4-(dimethylamino)phenyl]-1-(1,3,3-trimethylindol-2-ylidene)but-3-en-2-one
CID 53420222
N,N-dimethyl-4-[(E)-2-(1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]-6-yl)ethenyl]aniline
CID 16750875
(4R,10aR)-10a-[(Z)-2-[4-(dimethylamino)phenyl]ethenyl]-4,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 98472174
9,9-dimethylxanthene;(4-ethenylphenyl)phosphane
CID 175131716
4-[(E)-2-(4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 54569448

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide?
The IUPAC name of N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide (CID 20710287) is N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide.
What is the SMILES notation for N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide?
The canonical SMILES for N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide is C=Cc1ccc(N(C=O)/N=C/C2(C)N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide?
The InChIKey is UWDSVCMVVAPOTM-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H25N3O/c1-6-17-11-13-18(14-12-17)25(16-26)23-15-22(4)21(2,3)19-9-7-8-10-20(19)24(22)5/h6-16H,1H2,2-5H3/b23-15+.
What are the key properties of N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide?
N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide has a molecular weight of 347.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenylphenyl)-N-[(E)-(1,2,3,3-tetramethylindol-2-yl)methylideneamino]formamide is sourced from PubChem (CID 20710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).