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

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
N-(1-cyanocyclobutyl)-N,1-dimethylindole-2-carboxamide
CID 47445560
1-(1-methylindol-2-yl)cyclobutan-1-ol
CID 102201161
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[(1-hydroxycyclobutyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 111445697
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895

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).