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

C19H22N2O — CID 122188236

IUPACN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyCGEJOVUHOJQGJO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.14
Rot. Bonds4

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

N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide (PubChem CID 122188236) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
PubChem CID122188236
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22)
InChIKeyCGEJOVUHOJQGJO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide?
The IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide (CID 122188236) is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide is CC(=O)NCC1CCc2ccccc2N1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide?
The InChIKey is CGEJOVUHOJQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15(22)20-13-18-12-11-17-9-5-6-10-19(17)21(18)14-16-7-3-2-4-8-16/h2-10,18H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide?
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide is sourced from PubChem (CID 122188236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).