2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide

C13H18N2O2 — CID 155591610

IUPAC2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCC(C)N1c2ccc(C(N)=O)cc2CC1CO
InChIInChI=1S/C13H18N2O2/c1-8(2)15-11(7-16)6-10-5-9(13(14)17)3-4-12(10)15/h3-5,8,11,16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyUTCDCAUTFHFSQJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.92
Rot. Bonds3

About 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide

2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide (PubChem CID 155591610) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide
PubChem CID155591610
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide
SMILESCC(C)N1c2ccc(C(N)=O)cc2CC1CO
InChIInChI=1S/C13H18N2O2/c1-8(2)15-11(7-16)6-10-5-9(13(14)17)3-4-12(10)15/h3-5,8,11,16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyUTCDCAUTFHFSQJ-UHFFFAOYSA-N
XLogP0.92
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide (CID 155591610) is 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide is CC(C)N1c2ccc(C(N)=O)cc2CC1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide?
The InChIKey is UTCDCAUTFHFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)15-11(7-16)6-10-5-9(13(14)17)3-4-12(10)15/h3-5,8,11,16H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide?
2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-propan-2-yl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 155591610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).