(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C18H20N2O2 — CID 97094963

IUPAC(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C18H20N2O2/c1-13-11-15-6-2-3-8-17(15)20(13)18(22)19-10-9-14-5-4-7-16(21)12-14/h2-8,12-13,21H,9-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeySXUCITDFZBKJHW-ZDUSSCGKSA-N
MW296.37 g/mol
LogP3.10
Rot. Bonds3

About (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide

(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 97094963) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID97094963
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESC[C@H]1Cc2ccccc2N1C(=O)NCCc1cccc(O)c1
InChIInChI=1S/C18H20N2O2/c1-13-11-15-6-2-3-8-17(15)20(13)18(22)19-10-9-14-5-4-7-16(21)12-14/h2-8,12-13,21H,9-11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeySXUCITDFZBKJHW-ZDUSSCGKSA-N
XLogP3.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
N-(3-hydroxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108895859
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108988104
(2S)-2-N-methyl-1-N-(2-phenylethyl)-2,3-dihydroindole-1,2-dicarboxamide
CID 41232413
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
2-methyl-N-[3-(4-methylphenyl)-3-oxopropyl]-2,3-dihydroindole-1-carboxamide
CID 108874681
N-(2-chloroacetyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43146117
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112973581

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 97094963) is (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide is C[C@H]1Cc2ccccc2N1C(=O)NCCc1cccc(O)c1.
What is the InChIKey of (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is SXUCITDFZBKJHW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-11-15-6-2-3-8-17(15)20(13)18(22)19-10-9-14-5-4-7-16(21)12-14/h2-8,12-13,21H,9-11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
(2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-hydroxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 97094963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).