1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide

C21H18N2O3 — CID 73438566

IUPAC1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2ccccc2c1O
InChIInChI=1S/C21H18N2O3/c24-15-6-8-19-18(11-15)14(12-23-19)9-10-22-21(26)17-7-5-13-3-1-2-4-16(13)20(17)25/h1-8,11-12,23-25H,9-10H2,(H,22,26)
InChIKeyKHJNISGKGIHTMY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.70
Rot. Bonds4

About 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide

1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 73438566) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide
PubChem CID73438566
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2ccccc2c1O
InChIInChI=1S/C21H18N2O3/c24-15-6-8-19-18(11-15)14(12-23-19)9-10-22-21(26)17-7-5-13-3-1-2-4-16(13)20(17)25/h1-8,11-12,23-25H,9-10H2,(H,22,26)
InChIKeyKHJNISGKGIHTMY-UHFFFAOYSA-N
XLogP3.70
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide (CID 73438566) is 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide is O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is KHJNISGKGIHTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-15-6-8-19-18(11-15)14(12-23-19)9-10-22-21(26)17-7-5-13-3-1-2-4-16(13)20(17)25/h1-8,11-12,23-25H,9-10H2,(H,22,26).
What are the key properties of 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide?
1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 73438566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).