N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide

C17H18N2O — CID 80566091

IUPACN-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-18-16-10-6-5-9-14(15)16/h2-10,12,15,18H,11H2,1H3,(H,19,20)
InChIKeyYWPIUOGGUVVBGQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds3

About N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide

N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80566091) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80566091
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC(NC(=O)C1CNc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-18-16-10-6-5-9-14(15)16/h2-10,12,15,18H,11H2,1H3,(H,19,20)
InChIKeyYWPIUOGGUVVBGQ-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563608
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563668
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 81355683
N-[1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80564594
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[1-(5-methylthiophen-2-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566367
methyl (2S)-2-(2,3-dihydro-1H-indole-3-carbonylamino)propanoate
CID 80565260
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563211
N-(1-cyanopropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566463
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide (CID 80566091) is N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide is CC(NC(=O)C1CNc2ccccc21)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is YWPIUOGGUVVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)19-17(20)15-11-18-16-10-6-5-9-14(15)16/h2-10,12,15,18H,11H2,1H3,(H,19,20).
What are the key properties of N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide?
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80566091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).