3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide

C18H25N3O2 — CID 111443241

IUPAC3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)C3)ccc21
InChIInChI=1S/C18H25N3O2/c1-13(2)10-20-8-6-15-9-16(3-4-17(15)20)19-18(23)21-7-5-14(11-21)12-22/h3-4,6,8-9,13-14,22H,5,7,10-12H2,1-2H3,(H,19,23)
InChIKeyNAYAURVJLREHSX-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.14
Rot. Bonds4

About 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 111443241) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
PubChem CID111443241
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)C3)ccc21
InChIInChI=1S/C18H25N3O2/c1-13(2)10-20-8-6-15-9-16(3-4-17(15)20)19-18(23)21-7-5-14(11-21)12-22/h3-4,6,8-9,13-14,22H,5,7,10-12H2,1-2H3,(H,19,23)
InChIKeyNAYAURVJLREHSX-UHFFFAOYSA-N
XLogP3.14
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
4-(1-hydroxyethyl)-N-(1-propylindol-5-yl)piperidine-1-carboxamide
CID 111424917
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
(3S)-3-(4-carbamoyl-1H-pyrazol-5-yl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 129325198
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide (CID 111443241) is 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCC(CO)C3)ccc21.
What is the InChIKey of 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is NAYAURVJLREHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)10-20-8-6-15-9-16(3-4-17(15)20)19-18(23)21-7-5-14(11-21)12-22/h3-4,6,8-9,13-14,22H,5,7,10-12H2,1-2H3,(H,19,23).
What are the key properties of 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).