N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide

C24H31N3O2 — CID 108967767

IUPACN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)20-15-13-19(14-16-20)25-22(28)24(3,4)23(29)27-17-9-11-18-10-7-8-12-21(18)27/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3,(H,25,28)
InChIKeyCGWCRNLEYDSZBU-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.48
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide

N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108967767) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108967767
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)20-15-13-19(14-16-20)25-22(28)24(3,4)23(29)27-17-9-11-18-10-7-8-12-21(18)27/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3,(H,25,28)
InChIKeyCGWCRNLEYDSZBU-UHFFFAOYSA-N
XLogP4.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanamide
CID 108953408
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-methylpropyl)-3-oxopropanamide
CID 108958049
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959945
N-[4-(diethylamino)phenyl]-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141370
N-(2,5-dichlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108967778
N-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108962699
1-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethylpropane-1,3-dione
CID 108961236
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108967751
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108960416
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967754
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide (CID 108967767) is N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide is CCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is CGWCRNLEYDSZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-26(6-2)20-15-13-19(14-16-20)25-22(28)24(3,4)23(29)27-17-9-11-18-10-7-8-12-21(18)27/h7-8,10,12-16H,5-6,9,11,17H2,1-4H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide?
N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 393.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108967767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).