N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide

C13H16N2O4 — CID 170830289

IUPACN-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-7(16)14-6-11(17)13(19)8-2-3-10-9(4-8)5-12(18)15-10/h2-4,11,13,17,19H,5-6H2,1H3,(H,14,16)(H,15,18)
InChIKeyXRMDJWAYFWNKLI-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.29
Rot. Bonds4

About N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide (PubChem CID 170830289) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
PubChem CID170830289
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16N2O4/c1-7(16)14-6-11(17)13(19)8-2-3-10-9(4-8)5-12(18)15-10/h2-4,11,13,17,19H,5-6H2,1H3,(H,14,16)(H,15,18)
InChIKeyXRMDJWAYFWNKLI-UHFFFAOYSA-N
XLogP-0.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
N-[2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propyl]acetamide
CID 170829568
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82349925
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide (CID 170830289) is N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide is CC(=O)NCC(O)C(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide?
The InChIKey is XRMDJWAYFWNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7(16)14-6-11(17)13(19)8-2-3-10-9(4-8)5-12(18)15-10/h2-4,11,13,17,19H,5-6H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide is sourced from PubChem (CID 170830289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).