N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide

C26H28N2O — CID 100517277

IUPACN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-20-18-24-10-5-6-11-25(24)28(20)17-7-16-27-26(29)19-21-12-14-23(15-13-21)22-8-3-2-4-9-22/h2-6,8-15,20H,7,16-19H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyJJIANVPAOXWHCC-HXUWFJFHSA-N
MW384.52 g/mol
LogP4.85
Rot. Bonds7

About N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide

N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide (PubChem CID 100517277) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
PubChem CID100517277
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H28N2O/c1-20-18-24-10-5-6-11-25(24)28(20)17-7-16-27-26(29)19-21-12-14-23(15-13-21)22-8-3-2-4-9-22/h2-6,8-15,20H,7,16-19H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyJJIANVPAOXWHCC-HXUWFJFHSA-N
XLogP4.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.85
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

2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-phenylpropyl)acetamide
CID 2574622
2,4-dimethyl-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 125059686
3-iodo-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]benzamide
CID 100514224
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100750796
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081
4-(2-methyl-2,3-dihydroindol-1-yl)butanamide
CID 82040812
(2R)-N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100674924
N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133262206
2-tert-butylsulfanyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]acetamide
CID 60599554
1-(benzenesulfonyl)-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-4-carboxamide
CID 100646631
N,N-dimethyl-4-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylcarbamothioylamino]benzamide
CID 100740727
3-(dimethylsulfamoyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)propyl]benzamide
CID 133231360

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide (CID 100517277) is N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide is C[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JJIANVPAOXWHCC-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H28N2O/c1-20-18-24-10-5-6-11-25(24)28(20)17-7-16-27-26(29)19-21-12-14-23(15-13-21)22-8-3-2-4-9-22/h2-6,8-15,20H,7,16-19H2,1H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide?
N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 384.52 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100517277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).