1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide

C16H20N2O4 — CID 136530484

IUPAC1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3(CO)CCOC3)ccc21
InChIInChI=1S/C16H20N2O4/c1-11(20)18-6-4-12-8-13(2-3-14(12)18)15(21)17-16(9-19)5-7-22-10-16/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,21)
InChIKeyJVGJLPWDVQVWNB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.48
Rot. Bonds3

About 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 136530484) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID136530484
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC3(CO)CCOC3)ccc21
InChIInChI=1S/C16H20N2O4/c1-11(20)18-6-4-12-8-13(2-3-14(12)18)15(21)17-16(9-19)5-7-22-10-16/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,21)
InChIKeyJVGJLPWDVQVWNB-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260764
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
CID 146083815
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803
1-acetyl-N-(3-aminopropyl)-2,3-dihydroindole-5-carboxamide
CID 119259829
1-acetyl-N-(2-carbamoylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51266821
1-acetyl-N-hexyl-2,3-dihydroindole-5-carboxamide
CID 46538156

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide (CID 136530484) is 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC3(CO)CCOC3)ccc21.
What is the InChIKey of 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is JVGJLPWDVQVWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(20)18-6-4-12-8-13(2-3-14(12)18)15(21)17-16(9-19)5-7-22-10-16/h2-3,8,19H,4-7,9-10H2,1H3,(H,17,21).
What are the key properties of 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(hydroxymethyl)oxolan-3-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 136530484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).