4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide

C15H22N2O — CID 115156870

IUPAC4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c1-15(2,8-9-16)14(18)17-13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyJDZUPQYDZGCKFM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.49
Rot. Bonds4

About 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide (PubChem CID 115156870) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
PubChem CID115156870
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide
SMILESCC(C)(CCN)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c1-15(2,8-9-16)14(18)17-13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyJDZUPQYDZGCKFM-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
4-amino-4-methyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanamide
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CID 24704164
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
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N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide (CID 115156870) is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide is CC(C)(CCN)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide?
The InChIKey is JDZUPQYDZGCKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,8-9-16)14(18)17-13-7-6-11-4-3-5-12(11)10-13/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide?
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 115156870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).