2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C29H33N3O2 — CID 71671201

IUPAC2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H33N3O2/c1-20(2)23-14-16-24(17-15-23)30-29(34)19-31-21(3)18-28(26-12-8-9-13-27(26)31)32(22(4)33)25-10-6-5-7-11-25/h5-17,20-21,28H,18-19H2,1-4H3,(H,30,34)
InChIKeyKRNQDZZSOWYPBM-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.14
Rot. Bonds6

About 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 71671201) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID71671201
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(c1ccccc1)C1CC(C)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc21
InChIInChI=1S/C29H33N3O2/c1-20(2)23-14-16-24(17-15-23)30-29(34)19-31-21(3)18-28(26-12-8-9-13-27(26)31)32(22(4)33)25-10-6-5-7-11-25/h5-17,20-21,28H,18-19H2,1-4H3,(H,30,34)
InChIKeyKRNQDZZSOWYPBM-UHFFFAOYSA-N
XLogP6.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-4-oxopentanoic acid
CID 21092934
4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
CID 142882860
N-[(2R,4S)-2-methyl-1-[4-(methylcarbamoylamino)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21093097
1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine
CID 142882819
N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859976
methyl 2-[4-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]anilino]propanoate
CID 58859707
N-[(2R,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-methyl-N-phenylpropanamide
CID 7299352
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
N-[1-(4-chlorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 58859667
N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5497812
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 71671201) is 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(c1ccccc1)C1CC(C)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KRNQDZZSOWYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-20(2)23-14-16-24(17-15-23)30-29(34)19-31-21(3)18-28(26-12-8-9-13-27(26)31)32(22(4)33)25-10-6-5-7-11-25/h5-17,20-21,28H,18-19H2,1-4H3,(H,30,34).
What are the key properties of 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 455.60 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 71671201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).