N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide

C16H22N2O4 — CID 171883884

IUPACN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O4/c1-10(19)17-7-5-15(21)16(22)13-3-4-14-12(9-13)6-8-18(14)11(2)20/h3-4,9,15-16,21-22H,5-8H2,1-2H3,(H,17,19)
InChIKeyASXVUFXCOXKUJA-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.52
Rot. Bonds5

About N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide

N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171883884) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
PubChem CID171883884
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O4/c1-10(19)17-7-5-15(21)16(22)13-3-4-14-12(9-13)6-8-18(14)11(2)20/h3-4,9,15-16,21-22H,5-8H2,1-2H3,(H,17,19)
InChIKeyASXVUFXCOXKUJA-UHFFFAOYSA-N
XLogP0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348568
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[3,4-dihydroxy-4-(3-pyrrolidin-1-ylphenyl)butyl]acetamide
CID 171883824
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761
1-[5-(hydroxymethylsulfanyl)-2,3-dihydroindol-1-yl]ethanone
CID 117033391
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
CID 171883218

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide (CID 171883884) is N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is ASXVUFXCOXKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-10(19)17-7-5-15(21)16(22)13-3-4-14-12(9-13)6-8-18(14)11(2)20/h3-4,9,15-16,21-22H,5-8H2,1-2H3,(H,17,19).
What are the key properties of N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide?
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 306.36 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171883884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).