N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide

C16H23NO2 — CID 103824963

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,8-9-18)11-17-15(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyXSHMDDNEXGPLPF-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.31
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 103824963) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID103824963
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C)(CCO)CNC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,8-9-18)11-17-15(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,17,19)
InChIKeyXSHMDDNEXGPLPF-UHFFFAOYSA-N
XLogP2.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772540
3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-methylpropanoic acid
CID 55105106
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(2-methylprop-2-enyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114618954
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-[2-hydroxy-2-(4-methylcyclohexyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166350982
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 103824963) is N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide is CC(C)(CCO)CNC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is XSHMDDNEXGPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,8-9-18)11-17-15(19)14-7-6-12-4-3-5-13(12)10-14/h6-7,10,18H,3-5,8-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 261.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 103824963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).