4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide

C28H32N2O — CID 92682372

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-21(2)24-13-9-22(10-14-24)17-18-29-28(31)26-15-11-23(12-16-26)20-30-19-5-7-25-6-3-4-8-27(25)30/h3-4,6,8-16,21H,5,7,17-20H2,1-2H3,(H,29,31)
InChIKeyFOHVLQWBUDWBNT-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.74
Rot. Bonds7

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide (PubChem CID 92682372) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
PubChem CID92682372
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
SMILESCC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-21(2)24-13-9-22(10-14-24)17-18-29-28(31)26-15-11-23(12-16-26)20-30-19-5-7-25-6-3-4-8-27(25)30/h3-4,6,8-16,21H,5,7,17-20H2,1-2H3,(H,29,31)
InChIKeyFOHVLQWBUDWBNT-UHFFFAOYSA-N
XLogP5.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 43916498
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 38019865
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 99950072
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 38018400
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethylhexyl)benzamide
CID 133229571
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 43886668
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2548635

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide (CID 92682372) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide is CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
The InChIKey is FOHVLQWBUDWBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-21(2)24-13-9-22(10-14-24)17-18-29-28(31)26-15-11-23(12-16-26)20-30-19-5-7-25-6-3-4-8-27(25)30/h3-4,6,8-16,21H,5,7,17-20H2,1-2H3,(H,29,31).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 92682372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).