N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide

C14H19NO2 — CID 115186317

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-2-10(9-16)14(17)15-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,16H,2-5,9H2,1H3,(H,15,17)
InChIKeyZWDPRLJMJJGPRA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.13
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide (PubChem CID 115186317) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
PubChem CID115186317
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-2-10(9-16)14(17)15-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,16H,2-5,9H2,1H3,(H,15,17)
InChIKeyZWDPRLJMJJGPRA-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoyl)butanoic acid
CID 115185813
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186693
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
2-ethyl-N-[7-(2-ethylbutanoylamino)-9H-fluoren-2-yl]butanamide
CID 9320374
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-ethylbutanamide
CID 16942824
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpropanamide
CID 9275055
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylphenyl)urea
CID 17282136
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide (CID 115186317) is N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide?
The InChIKey is ZWDPRLJMJJGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-10(9-16)14(17)15-13-7-6-11-4-3-5-12(11)8-13/h6-8,10,16H,2-5,9H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide has a molecular weight of 233.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).