N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide

C19H17N3O — CID 6371781

IUPACN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
SMILESCC(/C=N\NC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(11-15-7-3-2-4-8-15)12-21-22-19(23)17-13-20-18-10-6-5-9-16(17)18/h2-13,20H,1H3,(H,22,23)/b14-11+,21-12-
InChIKeyHZGCAELCWCWMJJ-XZPMMGAVSA-N
MW303.37 g/mol
LogP3.99
Rot. Bonds4

About N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide

N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide (PubChem CID 6371781) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
PubChem CID6371781
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
SMILESCC(/C=N\NC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1
InChIInChI=1S/C19H17N3O/c1-14(11-15-7-3-2-4-8-15)12-21-22-19(23)17-13-20-18-10-6-5-9-16(17)18/h2-13,20H,1H3,(H,22,23)/b14-11+,21-12-
InChIKeyHZGCAELCWCWMJJ-XZPMMGAVSA-N
XLogP3.99
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-[(E)-(3-fluorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6873008
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide (CID 6371781) is N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide is CC(/C=N\NC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide?
The InChIKey is HZGCAELCWCWMJJ-XZPMMGAVSA-N. The full InChI is InChI=1S/C19H17N3O/c1-14(11-15-7-3-2-4-8-15)12-21-22-19(23)17-13-20-18-10-6-5-9-16(17)18/h2-13,20H,1H3,(H,22,23)/b14-11+,21-12-.
What are the key properties of N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide?
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6371781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).