2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide

C21H25NO — CID 86955228

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)15-19-14-13-18-9-5-6-10-20(18)19/h2-10,16,19H,11-15H2,1H3,(H,22,23)
InChIKeyKTHNUPPRUNUAEI-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.24
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 86955228) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID86955228
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CC1CCc2ccccc21
InChIInChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)15-19-14-13-18-9-5-6-10-20(18)19/h2-10,16,19H,11-15H2,1H3,(H,22,23)
InChIKeyKTHNUPPRUNUAEI-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 86955650
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484467
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-benzhydryloxy-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 57188688
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 86955228) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is KTHNUPPRUNUAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-16(11-12-17-7-3-2-4-8-17)22-21(23)15-19-14-13-18-9-5-6-10-20(18)19/h2-10,16,19H,11-15H2,1H3,(H,22,23).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 86955228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).