N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide

C20H22N2O2 — CID 10064737

IUPACN-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
SMILESCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-4-12-22(16-8-6-5-7-9-16)20(24)19-14-15-13-17(23)10-11-18(15)21(19)2/h5-11,13-14,23H,3-4,12H2,1-2H3
InChIKeyAOVRBKATDASGOC-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.33
Rot. Bonds5

About N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide

N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide (PubChem CID 10064737) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
PubChem CID10064737
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide
SMILESCCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-3-4-12-22(16-8-6-5-7-9-16)20(24)19-14-15-13-17(23)10-11-18(15)21(19)2/h5-11,13-14,23H,3-4,12H2,1-2H3
InChIKeyAOVRBKATDASGOC-UHFFFAOYSA-N
XLogP4.33
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The IUPAC name of N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide (CID 10064737) is N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide.
What is the SMILES notation for N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The canonical SMILES for N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide is CCCCN(C(=O)c1cc2cc(O)ccc2n1C)c1ccccc1.
What is the InChIKey of N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
The InChIKey is AOVRBKATDASGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-4-12-22(16-8-6-5-7-9-16)20(24)19-14-15-13-17(23)10-11-18(15)21(19)2/h5-11,13-14,23H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide?
N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-hydroxy-1-methyl-N-phenylindole-2-carboxamide is sourced from PubChem (CID 10064737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).