4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C28H31N3O2 — CID 167954493

IUPAC4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)c2c(c1)C(C)CCN2
InChIInChI=1S/C28H31N3O2/c1-18-16-22-19(2)12-14-29-26(22)23(17-18)27(32)31-24-11-7-8-20(3)25(24)28(33)30-15-13-21-9-5-4-6-10-21/h4-11,16-17,19,29H,12-15H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyVDWZTBWIGJGYKT-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.45
Rot. Bonds6

About 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 167954493) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID167954493
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)c2c(c1)C(C)CCN2
InChIInChI=1S/C28H31N3O2/c1-18-16-22-19(2)12-14-29-26(22)23(17-18)27(32)31-24-11-7-8-20(3)25(24)28(33)30-15-13-21-9-5-4-6-10-21/h4-11,16-17,19,29H,12-15H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyVDWZTBWIGJGYKT-UHFFFAOYSA-N
XLogP5.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351440
4,6-dimethyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351384
N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide
CID 166410277
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
(2-phenylmethoxyphenyl)methyl 4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 167841189
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
6-benzyl-N-phenyl-4-propan-2-yl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 142306731
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
(5S)-5-methyl-N-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
CID 69247574
2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-(2-phenylethyl)benzamide
CID 26163888
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 167954493) is 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is Cc1cc(C(=O)Nc2cccc(C)c2C(=O)NCCc2ccccc2)c2c(c1)C(C)CCN2.
What is the InChIKey of 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is VDWZTBWIGJGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-18-16-22-19(2)12-14-29-26(22)23(17-18)27(32)31-24-11-7-8-20(3)25(24)28(33)30-15-13-21-9-5-4-6-10-21/h4-11,16-17,19,29H,12-15H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 167954493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).