4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

C19H22N2O — CID 43823004

IUPAC4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESCC(C)c1ccc(C(=O)NC2CNc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-17-11-16-5-3-4-6-18(16)20-12-17/h3-10,13,17,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPOCZHIMTZMKNEK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.58
Rot. Bonds3

About 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (PubChem CID 43823004) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
PubChem CID43823004
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESCC(C)c1ccc(C(=O)NC2CNc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-17-11-16-5-3-4-6-18(16)20-12-17/h3-10,13,17,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyPOCZHIMTZMKNEK-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005
3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 18070930
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-3-yl)acetamide
CID 130638230
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
4-[(3-oxopiperazin-1-yl)methyl]-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 167778025
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
3-[(4-chlorobenzoyl)amino]-N-hydroxy-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 56933015
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-propan-2-ylbenzamide
CID 43603743
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (CID 43823004) is 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is CC(C)c1ccc(C(=O)NC2CNc3ccccc3C2)cc1.
What is the InChIKey of 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The InChIKey is POCZHIMTZMKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13(2)14-7-9-15(10-8-14)19(22)21-17-11-16-5-3-4-6-18(16)20-12-17/h3-10,13,17,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is sourced from PubChem (CID 43823004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).