N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide

C28H24N2O2 — CID 135086954

IUPACN-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O2/c31-19-25(22-9-2-1-3-10-22)29-28(32)27-17-24-12-6-7-13-26(24)30(27)18-20-14-15-21-8-4-5-11-23(21)16-20/h1-17,25,31H,18-19H2,(H,29,32)
InChIKeyPEZWDKBUOHVTBR-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.31
Rot. Bonds6

About N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide

N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide (PubChem CID 135086954) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
PubChem CID135086954
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
SMILESO=C(NC(CO)c1ccccc1)c1cc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C28H24N2O2/c31-19-25(22-9-2-1-3-10-22)29-28(32)27-17-24-12-6-7-13-26(24)30(27)18-20-14-15-21-8-4-5-11-23(21)16-20/h1-17,25,31H,18-19H2,(H,29,32)
InChIKeyPEZWDKBUOHVTBR-UHFFFAOYSA-N
XLogP5.31
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]benzamide
CID 58633293
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
(2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91639240
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
1-[(3-carbamimidoylphenyl)methyl]-N-[phenyl(pyridin-4-yl)methyl]indole-2-carboxamide
CID 11037866
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide (CID 135086954) is N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide is O=C(NC(CO)c1ccccc1)c1cc2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
The InChIKey is PEZWDKBUOHVTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-19-25(22-9-2-1-3-10-22)29-28(32)27-17-24-12-6-7-13-26(24)30(27)18-20-14-15-21-8-4-5-11-23(21)16-20/h1-17,25,31H,18-19H2,(H,29,32).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide?
N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 135086954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).