N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide

C20H24N2O — CID 122188348

IUPACN-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCc2ccccc2N1CCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-16(23)21-15-19-12-11-18-9-5-6-10-20(18)22(19)14-13-17-7-3-2-4-8-17/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyVDYVTDVPMJKJNY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.19
Rot. Bonds5

About N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide

N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide (PubChem CID 122188348) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
PubChem CID122188348
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCc2ccccc2N1CCc1ccccc1
InChIInChI=1S/C20H24N2O/c1-16(23)21-15-19-12-11-18-9-5-6-10-20(18)22(19)14-13-17-7-3-2-4-8-17/h2-10,19H,11-15H2,1H3,(H,21,23)
InChIKeyVDYVTDVPMJKJNY-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide (CID 122188348) is N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide is CC(=O)NCC1CCc2ccccc2N1CCc1ccccc1.
What is the InChIKey of N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide?
The InChIKey is VDYVTDVPMJKJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(23)21-15-19-12-11-18-9-5-6-10-20(18)22(19)14-13-17-7-3-2-4-8-17/h2-10,19H,11-15H2,1H3,(H,21,23).
What are the key properties of N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide?
N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)-3,4-dihydro-2H-quinolin-2-yl]methyl]acetamide is sourced from PubChem (CID 122188348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).