2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide

C31H39N3O — CID 134338621

IUPAC2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
SMILESCCCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C31H39N3O/c1-5-9-25-17-24(16-23-10-7-6-8-11-23)18-27-29(12-13-33-30(25)27)34-31(35)28(32)19-26-21(3)14-20(2)15-22(26)4/h6-8,10-11,14-15,17-18,28-29,33H,5,9,12-13,16,19,32H2,1-4H3,(H,34,35)
InChIKeyDXQJTKYAZQNXSV-UHFFFAOYSA-N
MW469.67 g/mol
LogP5.70
Rot. Bonds8

About 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide

2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide (PubChem CID 134338621) has the molecular formula C31H39N3O and a molecular weight of 469.67 g/mol. Its IUPAC name is 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
PubChem CID134338621
Molecular FormulaC31H39N3O
Molecular Weight469.67 g/mol
Exact Mass469.31
IUPAC Name2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
SMILESCCCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C(N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C31H39N3O/c1-5-9-25-17-24(16-23-10-7-6-8-11-23)18-27-29(12-13-33-30(25)27)34-31(35)28(32)19-26-21(3)14-20(2)15-22(26)4/h6-8,10-11,14-15,17-18,28-29,33H,5,9,12-13,16,19,32H2,1-4H3,(H,34,35)
InChIKeyDXQJTKYAZQNXSV-UHFFFAOYSA-N
XLogP5.70
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4R)-6-benzyl-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338767
ethyl (4R)-4-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylate
CID 134345130
(2S)-2-amino-N-[(4R)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338725
(2S)-2-amino-N-[(4R)-8-[[4-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]piperazin-1-yl]methyl]-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2-ethyl-4-hydroxy-6-methylphenyl)propanamide
CID 134352102
2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338649
(2S)-N-[(4R)-1-acetyl-6-benzyl-8-propyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345137
2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane
CID 161479808
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345256
(2S)-2-amino-N-[(1R)-7-benzyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338824
(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338774

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide (CID 134338621) is 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide is CCCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C(N)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DXQJTKYAZQNXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O/c1-5-9-25-17-24(16-23-10-7-6-8-11-23)18-27-29(12-13-33-30(25)27)34-31(35)28(32)19-26-21(3)14-20(2)15-22(26)4/h6-8,10-11,14-15,17-18,28-29,33H,5,9,12-13,16,19,32H2,1-4H3,(H,34,35).
What are the key properties of 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide?
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 469.67 g/mol, XLogP of 5.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 134338621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).