(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide

C18H20N2O — CID 61156315

IUPAC(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c19-16(12-13-6-2-1-3-7-13)18(21)20-17-11-10-14-8-4-5-9-15(14)17/h1-9,16-17H,10-12,19H2,(H,20,21)/t16-,17?/m0/s1
InChIKeyFASIRISRAMKYNW-BHWOMJMDSA-N
MW280.37 g/mol
LogP2.36
Rot. Bonds4

About (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide

(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide (PubChem CID 61156315) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
PubChem CID61156315
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCc2ccccc21
InChIInChI=1S/C18H20N2O/c19-16(12-13-6-2-1-3-7-13)18(21)20-17-11-10-14-8-4-5-9-15(14)17/h1-9,16-17H,10-12,19H2,(H,20,21)/t16-,17?/m0/s1
InChIKeyFASIRISRAMKYNW-BHWOMJMDSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide;hydrochloride
CID 119302125
(2S)-2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119291334
(2S)-2-amino-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 70945803
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
2-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-phenylpropanamide
CID 119275002
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
CID 122045757
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide (CID 61156315) is (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CCc2ccccc21.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide?
The InChIKey is FASIRISRAMKYNW-BHWOMJMDSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16(12-13-6-2-1-3-7-13)18(21)20-17-11-10-14-8-4-5-9-15(14)17/h1-9,16-17H,10-12,19H2,(H,20,21)/t16-,17?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide is sourced from PubChem (CID 61156315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).