N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

C18H18N2O2 — CID 698102

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(11-15)14(12-20-17)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyDWVGVBWQQYLAFO-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds5

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 698102) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID698102
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(11-15)14(12-20-17)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21)
InChIKeyDWVGVBWQQYLAFO-UHFFFAOYSA-N
XLogP3.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (CID 698102) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]cc(CCNC(=O)c3ccccc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is DWVGVBWQQYLAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-7-8-17-16(11-15)14(12-20-17)9-10-19-18(21)13-5-3-2-4-6-13/h2-8,11-12,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 698102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).