N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

C23H29NO2 — CID 25271168

IUPACN-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc(OCCCCc3ccccc3)cc21
InChIInChI=1S/C23H29NO2/c1-18(25)24-15-14-21-11-10-20-12-13-22(17-23(20)21)26-16-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16H2,1H3,(H,24,25)
InChIKeyFCUGDEHQHFGQHX-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.64
Rot. Bonds9

About N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (PubChem CID 25271168) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
PubChem CID25271168
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc(OCCCCc3ccccc3)cc21
InChIInChI=1S/C23H29NO2/c1-18(25)24-15-14-21-11-10-20-12-13-22(17-23(20)21)26-16-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16H2,1H3,(H,24,25)
InChIKeyFCUGDEHQHFGQHX-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-(2-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582585
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
ethane;N-[2-(5-phenylmethoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
CID 156715163
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
N-[4-(4-phenylbutoxy)phenyl]acetamide
CID 143188438
N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
CID 58381550
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
1-[3-(4-phenylbutoxy)phenyl]ethanone
CID 114333666
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (CID 25271168) is N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is CC(=O)NCCC1CCc2ccc(OCCCCc3ccccc3)cc21.
What is the InChIKey of N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The InChIKey is FCUGDEHQHFGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18(25)24-15-14-21-11-10-20-12-13-22(17-23(20)21)26-16-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16H2,1H3,(H,24,25).
What are the key properties of N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-phenylbutoxy)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is sourced from PubChem (CID 25271168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).