N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide

C20H23N3O2 — CID 4971710

IUPACN-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3c(OC)cccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-23(5-2)15-11-9-14(10-12-15)21-20(24)18-13-16-17(22-18)7-6-8-19(16)25-3/h6-13,22H,4-5H2,1-3H3,(H,21,24)
InChIKeyZVRFHILOIZZIRX-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.28
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide

N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 4971710) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID4971710
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3c(OC)cccc3[nH]2)cc1
InChIInChI=1S/C20H23N3O2/c1-4-23(5-2)15-11-9-14(10-12-15)21-20(24)18-13-16-17(22-18)7-6-8-19(16)25-3/h6-13,22H,4-5H2,1-3H3,(H,21,24)
InChIKeyZVRFHILOIZZIRX-UHFFFAOYSA-N
XLogP4.28
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide (CID 4971710) is N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc3c(OC)cccc3[nH]2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is ZVRFHILOIZZIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-23(5-2)15-11-9-14(10-12-15)21-20(24)18-13-16-17(22-18)7-6-8-19(16)25-3/h6-13,22H,4-5H2,1-3H3,(H,21,24).
What are the key properties of N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide?
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 4971710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).