N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide

C16H23NO2 — CID 82121740

IUPACN-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(19)17-10-14(18)13-8-7-11-5-4-6-12(11)9-13/h7-9,14,18H,4-6,10H2,1-3H3,(H,17,19)
InChIKeyLDRDUDVFACIWON-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.37
Rot. Bonds3

About N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide

N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide (PubChem CID 82121740) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
PubChem CID82121740
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-16(2,3)15(19)17-10-14(18)13-8-7-11-5-4-6-12(11)9-13/h7-9,14,18H,4-6,10H2,1-3H3,(H,17,19)
InChIKeyLDRDUDVFACIWON-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82116189
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 18442214
4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297695
1-(2,3-dihydro-1H-inden-5-yl)-4,4-dimethylpentan-1-ol
CID 115791341
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
2-[[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]butanoic acid
CID 82312862
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide (CID 82121740) is N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide?
The InChIKey is LDRDUDVFACIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)15(19)17-10-14(18)13-8-7-11-5-4-6-12(11)9-13/h7-9,14,18H,4-6,10H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide?
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82121740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).