3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

C18H20N2O — CID 43309050

IUPAC3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESNc1cccc(CCC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O/c19-16-6-1-3-13(11-16)7-10-18(21)20-17-9-8-14-4-2-5-15(14)12-17/h1,3,6,8-9,11-12H,2,4-5,7,10,19H2,(H,20,21)
InChIKeyMGQSSXONTQIHMV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.33
Rot. Bonds4

About 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide

3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (PubChem CID 43309050) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
PubChem CID43309050
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
SMILESNc1cccc(CCC(=O)Nc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O/c19-16-6-1-3-13(11-16)7-10-18(21)20-17-9-8-14-4-2-5-15(14)12-17/h1,3,6,8-9,11-12H,2,4-5,7,10,19H2,(H,20,21)
InChIKeyMGQSSXONTQIHMV-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
CID 28713600
3-(3-aminophenyl)-N-(4-fluoro-3-methylphenyl)propanamide
CID 62813104
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 54795255
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
N-(2,3-dihydro-1H-inden-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 18135257
4-[3-(3-aminophenyl)propanoylamino]benzenesulfonyl fluoride
CID 139270103
4-[3-(3-aminophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 54795591
3-(3-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)propanamide
CID 43381050
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide (CID 43309050) is 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is Nc1cccc(CCC(=O)Nc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
The InChIKey is MGQSSXONTQIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16-6-1-3-13(11-16)7-10-18(21)20-17-9-8-14-4-2-5-15(14)12-17/h1,3,6,8-9,11-12H,2,4-5,7,10,19H2,(H,20,21).
What are the key properties of 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide?
3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide is sourced from PubChem (CID 43309050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).