N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide

C22H20N2O2 — CID 90535044

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-24-14-19(18-8-4-5-9-20(18)24)21(25)13-23-22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,21,25H,13H2,1H3,(H,23,26)
InChIKeyQXKIHQMTOZBNSV-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.79
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide (PubChem CID 90535044) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
PubChem CID90535044
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
SMILESCn1cc(C(O)CNC(=O)c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C22H20N2O2/c1-24-14-19(18-8-4-5-9-20(18)24)21(25)13-23-22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,21,25H,13H2,1H3,(H,23,26)
InChIKeyQXKIHQMTOZBNSV-UHFFFAOYSA-N
XLogP3.79
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
CID 86264357
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99982931
1-benzhydryl-3-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]urea
CID 90535339
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide (CID 90535044) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide is Cn1cc(C(O)CNC(=O)c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide?
The InChIKey is QXKIHQMTOZBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24-14-19(18-8-4-5-9-20(18)24)21(25)13-23-22(26)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,14,21,25H,13H2,1H3,(H,23,26).
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 90535044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).