2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide

C22H27NO — CID 112837369

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C22H27NO/c1-23(15-6-5-10-18-8-3-2-4-9-18)22(24)17-19-13-14-20-11-7-12-21(20)16-19/h2-4,8-9,13-14,16H,5-7,10-12,15,17H2,1H3
InChIKeyOBXOKDBMMLUGCE-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.20
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide (PubChem CID 112837369) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
PubChem CID112837369
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide
SMILESCN(CCCCc1ccccc1)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C22H27NO/c1-23(15-6-5-10-18-8-3-2-4-9-18)22(24)17-19-13-14-20-11-7-12-21(20)16-19/h2-4,8-9,13-14,16H,5-7,10-12,15,17H2,1H3
InChIKeyOBXOKDBMMLUGCE-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 112822520
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
3-(8-phenyloctyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 143940802
2-(1-aminocyclopentyl)-N-methyl-N-(4-phenylbutyl)acetamide
CID 64678540
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(4-phenylbutyl)propanamide
CID 112837372
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide (CID 112837369) is 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide is CN(CCCCc1ccccc1)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide?
The InChIKey is OBXOKDBMMLUGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-23(15-6-5-10-18-8-3-2-4-9-18)22(24)17-19-13-14-20-11-7-12-21(20)16-19/h2-4,8-9,13-14,16H,5-7,10-12,15,17H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide has a molecular weight of 321.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 112837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).