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

C19H22N2O — CID 134792020

IUPACN-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-14(22)20-17-10-7-15(8-11-17)13-21(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyMEBRKCGKWPBKKG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.76
Rot. Bonds4

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

N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide (PubChem CID 134792020) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide
PubChem CID134792020
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN(C)C2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-14(22)20-17-10-7-15(8-11-17)13-21(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,22)
InChIKeyMEBRKCGKWPBKKG-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide (CID 134792020) is N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN(C)C2CCc3ccccc32)cc1.
What is the InChIKey of N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide?
The InChIKey is MEBRKCGKWPBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(22)20-17-10-7-15(8-11-17)13-21(2)19-12-9-16-5-3-4-6-18(16)19/h3-8,10-11,19H,9,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide?
N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 134792020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).