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

C16H23NO2 — CID 115186693

IUPACN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-2-13(11-18)16(19)17-9-8-12-6-7-14-4-3-5-15(14)10-12/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyDQXOQDJSUXUVSC-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.85
Rot. Bonds6

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

N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide (PubChem CID 115186693) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
PubChem CID115186693
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide
SMILESCCC(CO)C(=O)NCCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO2/c1-2-13(11-18)16(19)17-9-8-12-6-7-14-4-3-5-15(14)10-12/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyDQXOQDJSUXUVSC-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
N-(2,3-dihydro-1H-inden-5-yl)-2-(hydroxymethyl)butanamide
CID 115186317
N-[2-(4-fluorophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186683
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamoyl chloride
CID 115194877
3-amino-2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 115153778
ethyl N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]carbamate
CID 110787782
N-[2-(3-bromophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186719
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186690
2-(hydroxymethyl)-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 115186724
2-amino-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 82495829
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide (CID 115186693) is N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide is CCC(CO)C(=O)NCCc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide?
The InChIKey is DQXOQDJSUXUVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-13(11-18)16(19)17-9-8-12-6-7-14-4-3-5-15(14)10-12/h6-7,10,13,18H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide?
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide has a molecular weight of 261.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 115186693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).