3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide

C23H28N2O3 — CID 108967751

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-16(2)28-20-14-8-6-12-18(20)24-21(26)23(3,4)22(27)25-15-9-11-17-10-5-7-13-19(17)25/h5-8,10,12-14,16H,9,11,15H2,1-4H3,(H,24,26)
InChIKeyHNOVNHQYSYFOQT-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.42
Rot. Bonds5

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 108967751) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID108967751
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-16(2)28-20-14-8-6-12-18(20)24-21(26)23(3,4)22(27)25-15-9-11-17-10-5-7-13-19(17)25/h5-8,10,12-14,16H,9,11,15H2,1-4H3,(H,24,26)
InChIKeyHNOVNHQYSYFOQT-UHFFFAOYSA-N
XLogP4.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108986778
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967778
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
N-(4-chlorophenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108968985
N,2,2-trimethyl-N-phenyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967570
N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide (CID 108967751) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is HNOVNHQYSYFOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)28-20-14-8-6-12-18(20)24-21(26)23(3,4)22(27)25-15-9-11-17-10-5-7-13-19(17)25/h5-8,10,12-14,16H,9,11,15H2,1-4H3,(H,24,26).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 108967751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).