N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide

C12H15N3O2 — CID 110833755

IUPACN-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide
SMILESNCCNC(=O)Cc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H15N3O2/c13-4-5-14-11(17)6-8-7-15-9-2-1-3-10(16)12(8)9/h1-3,7,15-16H,4-6,13H2,(H,14,17)
InChIKeyCQRWZUBCJFPPSE-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.49
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide

N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 110833755) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide
PubChem CID110833755
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide
SMILESNCCNC(=O)Cc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H15N3O2/c13-4-5-14-11(17)6-8-7-15-9-2-1-3-10(16)12(8)9/h1-3,7,15-16H,4-6,13H2,(H,14,17)
InChIKeyCQRWZUBCJFPPSE-UHFFFAOYSA-N
XLogP0.49
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[3-[4-(diaminomethylideneamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide
CID 162900779
(2S)-N-[5-[3-[3-[3-[4-[3-(4-aminobutylamino)propanoylamino]butylamino]propanoylamino]propylamino]propanoylamino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
CID 102318070
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
CID 589768
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
CID 102304258
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
2-[2-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242531
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide (CID 110833755) is N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide is NCCNC(=O)Cc1c[nH]c2cccc(O)c12.
What is the InChIKey of N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is CQRWZUBCJFPPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-4-5-14-11(17)6-8-7-15-9-2-1-3-10(16)12(8)9/h1-3,7,15-16H,4-6,13H2,(H,14,17).
What are the key properties of N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide?
N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110833755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).