2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide

C16H24N2O2 — CID 107683090

IUPAC2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc2c(c1)CCC2N
InChIInChI=1S/C16H24N2O2/c1-11(2)7-8-18-16(19)10-20-13-4-5-14-12(9-13)3-6-15(14)17/h4-5,9,11,15H,3,6-8,10,17H2,1-2H3,(H,18,19)
InChIKeyJZAOUVFQZYMOFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds6

About 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide (PubChem CID 107683090) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
PubChem CID107683090
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccc2c(c1)CCC2N
InChIInChI=1S/C16H24N2O2/c1-11(2)7-8-18-16(19)10-20-13-4-5-14-12(9-13)3-6-15(14)17/h4-5,9,11,15H,3,6-8,10,17H2,1-2H3,(H,18,19)
InChIKeyJZAOUVFQZYMOFD-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107682943
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-(2-methylpropyl)acetamide
CID 107683613
2-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107684659
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-methylpropanamide
CID 107683137
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide (CID 107683090) is 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccc2c(c1)CCC2N.
What is the InChIKey of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide?
The InChIKey is JZAOUVFQZYMOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)7-8-18-16(19)10-20-13-4-5-14-12(9-13)3-6-15(14)17/h4-5,9,11,15H,3,6-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide?
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 107683090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).