3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide

C18H26N2O2 — CID 108958049

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CNC(=O)C(C)(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-13(2)12-19-16(21)18(3,4)17(22)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,19,21)
InChIKeyLHBLXKLIVLKLNP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds4

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide

3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide (PubChem CID 108958049) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
PubChem CID108958049
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
SMILESCC(C)CNC(=O)C(C)(C)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c1-13(2)12-19-16(21)18(3,4)17(22)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,19,21)
InChIKeyLHBLXKLIVLKLNP-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108957855
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
N-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962699
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967767
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962811
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967778
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide (CID 108958049) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide is CC(C)CNC(=O)C(C)(C)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide?
The InChIKey is LHBLXKLIVLKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)12-19-16(21)18(3,4)17(22)20-11-7-9-14-8-5-6-10-15(14)20/h5-6,8,10,13H,7,9,11-12H2,1-4H3,(H,19,21).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide is sourced from PubChem (CID 108958049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).