N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

C15H20N2O2 — CID 80567177

IUPACN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-17(9-10-6-11(18)7-10)15(19)13-8-16-14-5-3-2-4-12(13)14/h2-5,10-11,13,16,18H,6-9H2,1H3
InChIKeySQCOWIHPSJHMRB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.42
Rot. Bonds3

About N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide

N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80567177) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80567177
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
SMILESCN(CC1CC(O)C1)C(=O)C1CNc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-17(9-10-6-11(18)7-10)15(19)13-8-16-14-5-3-2-4-12(13)14/h2-5,10-11,13,16,18H,6-9H2,1H3
InChIKeySQCOWIHPSJHMRB-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566431
N-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566327
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565387
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564207
N-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565285
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-methyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935099
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide (CID 80567177) is N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is CN(CC1CC(O)C1)C(=O)C1CNc2ccccc21.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is SQCOWIHPSJHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(9-10-6-11(18)7-10)15(19)13-8-16-14-5-3-2-4-12(13)14/h2-5,10-11,13,16,18H,6-9H2,1H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide?
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).