2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide

C16H23NO2 — CID 91631163

IUPAC2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-3-12(4-2)15(18)17-11-16(19)9-13-7-5-6-8-14(13)10-16/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyZMLFRZQGRSJQAO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.07
Rot. Bonds5

About 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide

2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide (PubChem CID 91631163) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide
PubChem CID91631163
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(O)Cc2ccccc2C1
InChIInChI=1S/C16H23NO2/c1-3-12(4-2)15(18)17-11-16(19)9-13-7-5-6-8-14(13)10-16/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyZMLFRZQGRSJQAO-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide (CID 91631163) is 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide is CCC(CC)C(=O)NCC1(O)Cc2ccccc2C1.
What is the InChIKey of 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide?
The InChIKey is ZMLFRZQGRSJQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12(4-2)15(18)17-11-16(19)9-13-7-5-6-8-14(13)10-16/h5-8,12,19H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide?
2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]butanamide is sourced from PubChem (CID 91631163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).