N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C27H28N2O2 — CID 17067365

IUPACN-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-3-26(30)29(22-14-8-5-9-15-22)25-18-20(2)28(24-17-11-10-16-23(24)25)27(31)19-21-12-6-4-7-13-21/h4-17,20,25H,3,18-19H2,1-2H3
InChIKeySLNSERRUCFDIAS-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.54
Rot. Bonds5

About N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 17067365) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID17067365
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-3-26(30)29(22-14-8-5-9-15-22)25-18-20(2)28(24-17-11-10-16-23(24)25)27(31)19-21-12-6-4-7-13-21/h4-17,20,25H,3,18-19H2,1-2H3
InChIKeySLNSERRUCFDIAS-UHFFFAOYSA-N
XLogP5.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2R,4R)-2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 98063589
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805
N-[(2S,4S)-1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,2-diphenylacetamide
CID 29400498
N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 58859906
N-[(2R,4S)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093030
N-[(2S,4R)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 86592013

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 17067365) is N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is SLNSERRUCFDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-3-26(30)29(22-14-8-5-9-15-22)25-18-20(2)28(24-17-11-10-16-23(24)25)27(31)19-21-12-6-4-7-13-21/h4-17,20,25H,3,18-19H2,1-2H3.
What are the key properties of N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 412.53 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 17067365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).