4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide

C18H19N3O — CID 71499437

IUPAC4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H19N3O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11,19H2,1H3,(H,20,22)
InChIKeyZGWDCBVRJUILFO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.96
Rot. Bonds4

About 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide

4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide (PubChem CID 71499437) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide
PubChem CID71499437
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C18H19N3O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11,19H2,1H3,(H,20,22)
InChIKeyZGWDCBVRJUILFO-UHFFFAOYSA-N
XLogP2.96
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide (CID 71499437) is 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
The InChIKey is ZGWDCBVRJUILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-12-15-4-2-3-5-17(15)21(13)11-10-20-18(22)14-6-8-16(19)9-7-14/h2-9,12H,10-11,19H2,1H3,(H,20,22).
What are the key properties of 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide?
4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide has a molecular weight of 293.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylindol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71499437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).