2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide

C21H24N2O4 — CID 72705410

IUPAC2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(CCO)Cc1ccc(O)cc1O
InChIInChI=1S/C21H24N2O4/c24-10-8-15(11-14-5-6-17(25)12-20(14)26)21(27)22-9-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,12-13,15,23-26H,7-11H2,(H,22,27)
InChIKeyBGRNBJHPKOQUPB-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.48
Rot. Bonds8

About 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide

2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide (PubChem CID 72705410) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide
PubChem CID72705410
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(CCO)Cc1ccc(O)cc1O
InChIInChI=1S/C21H24N2O4/c24-10-8-15(11-14-5-6-17(25)12-20(14)26)21(27)22-9-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,12-13,15,23-26H,7-11H2,(H,22,27)
InChIKeyBGRNBJHPKOQUPB-UHFFFAOYSA-N
XLogP2.48
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042
7-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethylheptanamide
CID 90927867
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 103830896
2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pentadecanamide
CID 90754390
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The IUPAC name of 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide (CID 72705410) is 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide is O=C(NCCc1c[nH]c2ccccc12)C(CCO)Cc1ccc(O)cc1O.
What is the InChIKey of 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide?
The InChIKey is BGRNBJHPKOQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-10-8-15(11-14-5-6-17(25)12-20(14)26)21(27)22-9-7-16-13-23-19-4-2-1-3-18(16)19/h1-6,12-13,15,23-26H,7-11H2,(H,22,27).
What are the key properties of 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide?
2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide has a molecular weight of 368.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dihydroxyphenyl)methyl]-4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]butanamide is sourced from PubChem (CID 72705410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).