N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide

C18H20N2O — CID 46230980

IUPACN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2Cc3ccccc3C2N)cc1
InChIInChI=1S/C18H20N2O/c1-12(21)20-16-8-6-13(7-9-16)10-15-11-14-4-2-3-5-17(14)18(15)19/h2-9,15,18H,10-11,19H2,1H3,(H,20,21)
InChIKeyDABDOSUSRIKRCF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.06
Rot. Bonds3

About N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide

N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide (PubChem CID 46230980) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide
PubChem CID46230980
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CC2Cc3ccccc3C2N)cc1
InChIInChI=1S/C18H20N2O/c1-12(21)20-16-8-6-13(7-9-16)10-15-11-14-4-2-3-5-17(14)18(15)19/h2-9,15,18H,10-11,19H2,1H3,(H,20,21)
InChIKeyDABDOSUSRIKRCF-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide (CID 46230980) is N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CC2Cc3ccccc3C2N)cc1.
What is the InChIKey of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide?
The InChIKey is DABDOSUSRIKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(21)20-16-8-6-13(7-9-16)10-15-11-14-4-2-3-5-17(14)18(15)19/h2-9,15,18H,10-11,19H2,1H3,(H,20,21).
What are the key properties of N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide?
N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-amino-2,3-dihydro-1H-inden-2-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 46230980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).