N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide

C17H18N2O — CID 162807837

IUPACN-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide
SMILESCCC(=O)NN1c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-17(20)18-19-15-11-7-6-10-14(15)12-16(19)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBTKBASMAGRQBIT-INIZCTEOSA-N
MW266.34 g/mol
LogP3.23
Rot. Bonds3

About N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide

N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide (PubChem CID 162807837) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide
PubChem CID162807837
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide
SMILESCCC(=O)NN1c2ccccc2C[C@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-17(20)18-19-15-11-7-6-10-14(15)12-16(19)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyBTKBASMAGRQBIT-INIZCTEOSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,3R)-2,3-dimethyl-2,3-dihydroindol-1-yl]propanamide
CID 163155161
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
N-(2,6-diethylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22199993
2-phenyl-1-propan-2-yl-2,3-dihydroindole
CID 139389323
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
2-(2-hydroxy-2,3-dihydroindol-1-yl)acetic acid
CID 133188486
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
N-[2-(2-bromo-5-fluorophenyl)-2,3-dihydroindol-1-yl]acetamide
CID 11393937
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566850
N-(ethylcarbamoyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8685970
2-phenylaziridine-1-carboxylic acid
CID 87708946

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide?
The IUPAC name of N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide (CID 162807837) is N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide.
What is the SMILES notation for N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide?
The canonical SMILES for N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide is CCC(=O)NN1c2ccccc2C[C@H]1c1ccccc1.
What is the InChIKey of N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide?
The InChIKey is BTKBASMAGRQBIT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-17(20)18-19-15-11-7-6-10-14(15)12-16(19)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide?
N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2,3-dihydroindol-1-yl]propanamide is sourced from PubChem (CID 162807837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).