N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide

C14H18N2O3 — CID 171883218

IUPACN-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O3/c1-9(17)15-7-5-13(18)14(19)11-2-3-12-10(8-11)4-6-16-12/h2-4,6,8,13-14,16,18-19H,5,7H2,1H3,(H,15,17)
InChIKeyYRPVTTXGHFYFAI-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.09
Rot. Bonds5

About N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide

N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide (PubChem CID 171883218) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
PubChem CID171883218
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N2O3/c1-9(17)15-7-5-13(18)14(19)11-2-3-12-10(8-11)4-6-16-12/h2-4,6,8,13-14,16,18-19H,5,7H2,1H3,(H,15,17)
InChIKeyYRPVTTXGHFYFAI-UHFFFAOYSA-N
XLogP1.09
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-acetamido-1,2-dihydroxybutyl)-1H-indole-2-carboxylic acid
CID 171883879
N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883191
N-[3,4-dihydroxy-4-(3-nitro-4-oxo-1H-quinolin-6-yl)butyl]acetamide
CID 171884066
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[3,4-dihydroxy-4-(1-oxo-2H-phthalazin-6-yl)butyl]acetamide
CID 171883814
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[3,4-dihydroxy-4-(2-methyl-4-oxo-3H-quinazolin-6-yl)butyl]acetamide
CID 171883870
N-[4-(3-amino-4-chlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882761
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[4-(1H-indol-5-yl)but-3-enyl]acetamide
CID 170488817

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide (CID 171883218) is N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide?
The InChIKey is YRPVTTXGHFYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)15-7-5-13(18)14(19)11-2-3-12-10(8-11)4-6-16-12/h2-4,6,8,13-14,16,18-19H,5,7H2,1H3,(H,15,17).
What are the key properties of N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide?
N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-(1H-indol-5-yl)butyl]acetamide is sourced from PubChem (CID 171883218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).