N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide

C22H20N2O2 — CID 3071647

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C22H20N2O2/c1-26-18-10-9-15-6-4-7-16(19(15)14-18)11-12-23-22(25)21-13-17-5-2-3-8-20(17)24-21/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)
InChIKeyVRWWBTBOWUNVQD-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.30
Rot. Bonds5

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 3071647) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID3071647
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cccc(CCNC(=O)c3cc4ccccc4[nH]3)c2c1
InChIInChI=1S/C22H20N2O2/c1-26-18-10-9-15-6-4-7-16(19(15)14-18)11-12-23-22(25)21-13-17-5-2-3-8-20(17)24-21/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)
InChIKeyVRWWBTBOWUNVQD-UHFFFAOYSA-N
XLogP4.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide (CID 3071647) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide is COc1ccc2cccc(CCNC(=O)c3cc4ccccc4[nH]3)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is VRWWBTBOWUNVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-26-18-10-9-15-6-4-7-16(19(15)14-18)11-12-23-22(25)21-13-17-5-2-3-8-20(17)24-21/h2-10,13-14,24H,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 3071647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).