N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide

C21H24N2O2 — CID 109055995

IUPACN-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)22-19(24)16-9-6-10-17(14-16)20(25)23-13-7-11-15-8-4-5-12-18(15)23/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,22,24)
InChIKeyAOKHMLWCZDLHDP-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds2

About N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide

N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide (PubChem CID 109055995) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
PubChem CID109055995
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-21(2,3)22-19(24)16-9-6-10-17(14-16)20(25)23-13-7-11-15-8-4-5-12-18(15)23/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,22,24)
InChIKeyAOKHMLWCZDLHDP-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-pentylbenzamide
CID 109056273
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
N-tert-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109099143
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide
CID 109052027

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The IUPAC name of N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide (CID 109055995) is N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide is CC(C)(C)NC(=O)c1cccc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
The InChIKey is AOKHMLWCZDLHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-21(2,3)22-19(24)16-9-6-10-17(14-16)20(25)23-13-7-11-15-8-4-5-12-18(15)23/h4-6,8-10,12,14H,7,11,13H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide?
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide is sourced from PubChem (CID 109055995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).