N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide

C16H23NO2 — CID 22922685

IUPACN-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCC2=C1C=C(C=C2)OC
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyXLQWMAYNSQHNTQ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.00
Rot. Bonds6

About N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide

N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide (PubChem CID 22922685) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide
PubChem CID22922685
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide
SMILESCCCC(=O)NCCC1CCC2=C1C=C(C=C2)OC
InChIInChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18)
InChIKeyXLQWMAYNSQHNTQ-UHFFFAOYSA-N
XLogP3.00
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity292

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide?
The IUPAC name of N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide (CID 22922685) is N-[2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide?
The canonical SMILES for N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide is CCCC(=O)NCCC1CCC2=C1C=C(C=C2)OC.
What is the InChIKey of N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide?
The InChIKey is XLQWMAYNSQHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-16(18)17-10-9-13-6-5-12-7-8-14(19-2)11-15(12)13/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide?
N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide has a molecular weight of 261.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-Methoxy-indan-1-yl)-ethyl]-butyramide is sourced from PubChem (CID 22922685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).