N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide

C19H19N3O — CID 3447704

IUPACN-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-3-14-8-10-15(11-9-14)13(2)21-22-19(23)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,3H2,1-2H3,(H,22,23)
InChIKeyRYKGUMPFUZVHHT-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide

N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 3447704) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
PubChem CID3447704
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O/c1-3-14-8-10-15(11-9-14)13(2)21-22-19(23)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,3H2,1-2H3,(H,22,23)
InChIKeyRYKGUMPFUZVHHT-UHFFFAOYSA-N
XLogP3.88
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.88
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-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(E)-1-[4-(thiophene-2-carbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 19685568
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-1H-indole-3-carboxamide
CID 4167609

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide (CID 3447704) is N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide is CCc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is RYKGUMPFUZVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-14-8-10-15(11-9-14)13(2)21-22-19(23)17-12-20-18-7-5-4-6-16(17)18/h4-12,20H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide?
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 3447704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).