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

C21H26N2O — CID 122188353

IUPACN-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-2-21(24)22-15-14-19-13-12-18-10-6-7-11-20(18)23(19)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,22,24)
InChIKeyNKEWYMMHKCYAOC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide (PubChem CID 122188353) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide
PubChem CID122188353
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O/c1-2-21(24)22-15-14-19-13-12-18-10-6-7-11-20(18)23(19)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,22,24)
InChIKeyNKEWYMMHKCYAOC-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide (CID 122188353) is N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide is CCC(=O)NCCC1CCc2ccccc2N1Cc1ccccc1.
What is the InChIKey of N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide?
The InChIKey is NKEWYMMHKCYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-21(24)22-15-14-19-13-12-18-10-6-7-11-20(18)23(19)16-17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide?
N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide has a molecular weight of 322.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)ethyl]propanamide is sourced from PubChem (CID 122188353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).