N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide

C15H18N2O2 — CID 111445687

IUPACN-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCC2(O)CCC2)cc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-12-6-3-2-5-11(12)9-13(17)14(18)16-10-15(19)7-4-8-15/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,16,18)
InChIKeySQCXJQNROHXULT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.82
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide (PubChem CID 111445687) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
PubChem CID111445687
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NCC2(O)CCC2)cc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-17-12-6-3-2-5-11(12)9-13(17)14(18)16-10-15(19)7-4-8-15/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,16,18)
InChIKeySQCXJQNROHXULT-UHFFFAOYSA-N
XLogP1.82
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide (CID 111445687) is N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NCC2(O)CCC2)cc2ccccc21.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide?
The InChIKey is SQCXJQNROHXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-12-6-3-2-5-11(12)9-13(17)14(18)16-10-15(19)7-4-8-15/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 111445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).