2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

C18H18N2O4 — CID 101350086

IUPAC2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(N[C@H](CO)c1ccc(O)cc1)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O4/c21-10-16(11-5-7-12(22)8-6-11)20-18(24)17(23)14-9-19-15-4-2-1-3-13(14)15/h1-9,16-17,19,21-23H,10H2,(H,20,24)/t16-,17?/m1/s1
InChIKeyASSZRPNNBRGADU-TZHYSIJRSA-N
MW326.35 g/mol
LogP1.76
Rot. Bonds5

About 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide

2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 101350086) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID101350086
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(N[C@H](CO)c1ccc(O)cc1)C(O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O4/c21-10-16(11-5-7-12(22)8-6-11)20-18(24)17(23)14-9-19-15-4-2-1-3-13(14)15/h1-9,16-17,19,21-23H,10H2,(H,20,24)/t16-,17?/m1/s1
InChIKeyASSZRPNNBRGADU-TZHYSIJRSA-N
XLogP1.76
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
N-(2-hydroxy-1-phenylethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 11109608
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
2-(1H-indol-3-yl)butanedioic acid
CID 588708
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
CID 73349379
1-(2-hydroxy-1-phenylethyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108824
3-(4-fluorophenyl)-3-(1H-indol-3-yl)propanoic acid
CID 3550541
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)propanoic acid
CID 42656837
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 101350086) is 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide is O=C(N[C@H](CO)c1ccc(O)cc1)C(O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is ASSZRPNNBRGADU-TZHYSIJRSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-10-16(11-5-7-12(22)8-6-11)20-18(24)17(23)14-9-19-15-4-2-1-3-13(14)15/h1-9,16-17,19,21-23H,10H2,(H,20,24)/t16-,17?/m1/s1.
What are the key properties of 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 101350086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).