1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide

C20H22N2O3 — CID 52522890

IUPAC1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NC[C@@H](O)c2ccc(OC)cc2)cc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-3-22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-19(23)14-8-10-16(25-2)11-9-14/h4-12,19,23H,3,13H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyCPUVSHDSHTURBA-LJQANCHMSA-N
MW338.41 g/mol
LogP3.13
Rot. Bonds6

About 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide

1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide (PubChem CID 52522890) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
PubChem CID52522890
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide
SMILESCCn1c(C(=O)NC[C@@H](O)c2ccc(OC)cc2)cc2ccccc21
InChIInChI=1S/C20H22N2O3/c1-3-22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-19(23)14-8-10-16(25-2)11-9-14/h4-12,19,23H,3,13H2,1-2H3,(H,21,24)/t19-/m1/s1
InChIKeyCPUVSHDSHTURBA-LJQANCHMSA-N
XLogP3.13
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-phenylindol-1-yl)acetamide
CID 47029046
1-ethylindole-2-carbohydrazide
CID 166595239
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958
1-ethyl-N-prop-2-ynylindole-2-carboxamide
CID 47335095
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 110889455
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-ethylindole-2-carboxamide
CID 55930331
methyl 2-[(1-ethylindole-2-carbonyl)amino]-3-methylbutanoate
CID 86845751
1-ethyl-N-[[1-(1-hydroxy-2-methylpropyl)cyclopropyl]methyl]indole-2-carboxamide
CID 75444716
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[3-(dimethylamino)-3-oxopropyl]-1-ethylindole-2-carboxamide
CID 47066990
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide (CID 52522890) is 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide is CCn1c(C(=O)NC[C@@H](O)c2ccc(OC)cc2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide?
The InChIKey is CPUVSHDSHTURBA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-22-17-7-5-4-6-15(17)12-18(22)20(24)21-13-19(23)14-8-10-16(25-2)11-9-14/h4-12,19,23H,3,13H2,1-2H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide?
1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 52522890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).