2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide

C15H21NO2 — CID 103870017

IUPAC2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCC(CC)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H21NO2/c1-3-10(4-2)15(18)16-14-12-8-6-5-7-11(12)9-13(14)17/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyJCVHZMLZTAMEOE-UONOGXRCSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds4

About 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide

2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide (PubChem CID 103870017) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
PubChem CID103870017
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide
SMILESCCC(CC)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C15H21NO2/c1-3-10(4-2)15(18)16-14-12-8-6-5-7-11(12)9-13(14)17/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,16,18)/t13-,14+/m0/s1
InChIKeyJCVHZMLZTAMEOE-UONOGXRCSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-ethylhexanamide
CID 114302098
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-bis[(2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]heptanediamide
CID 59923169
2-ethoxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylacetamide
CID 136518623
(2S)-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 97237159
5-amino-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methylpentanamide
CID 77313664
4-amino-5-[(4-chlorophenyl)sulfonylamino]-2-ethyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)pentanamide
CID 123179033
2-acetamido-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103819065
2-acetamido-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbutanamide
CID 103625684

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The IUPAC name of 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide (CID 103870017) is 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide is CCC(CC)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
The InChIKey is JCVHZMLZTAMEOE-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-10(4-2)15(18)16-14-12-8-6-5-7-11(12)9-13(14)17/h5-8,10,13-14,17H,3-4,9H2,1-2H3,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide?
2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanamide is sourced from PubChem (CID 103870017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).