2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

C29H35N3O — CID 134338649

IUPAC2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(C)cc2C)CCN3)c1
InChIInChI=1S/C29H35N3O/c1-18-6-5-7-22(14-18)15-23-8-9-27-25(16-23)28(10-11-31-27)32-29(33)26(30)17-24-20(3)12-19(2)13-21(24)4/h5-9,12-14,16,26,28,31H,10-11,15,17,30H2,1-4H3,(H,32,33)
InChIKeyBXNWHYDDSTWJIN-UHFFFAOYSA-N
MW441.62 g/mol
LogP5.05
Rot. Bonds6

About 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (PubChem CID 134338649) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
PubChem CID134338649
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(C)cc2C)CCN3)c1
InChIInChI=1S/C29H35N3O/c1-18-6-5-7-22(14-18)15-23-8-9-27-25(16-23)28(10-11-31-27)32-29(33)26(30)17-24-20(3)12-19(2)13-21(24)4/h5-9,12-14,16,26,28,31H,10-11,15,17,30H2,1-4H3,(H,32,33)
InChIKeyBXNWHYDDSTWJIN-UHFFFAOYSA-N
XLogP5.05
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[(4R)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338725
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
CID 134345143
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(4R)-6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
CID 134345461
(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-(6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4-hydroxyphenyl)propanamide
CID 91363644
(2S)-2-amino-N-[(4R)-6-benzyl-8-methoxy-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338768
2-amino-N-(6-benzyl-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide
CID 134338621
(2S)-2-amino-N-[(2R,4R)-6-benzyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345440
(2S)-2-amino-N-(6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-cyclopropyl-3-(2,4,6-trimethylphenyl)propanamide
CID 134338719
(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)-6-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-methyl-3-(2,4,6-trimethylphenyl)propanamide
CID 134338705
2-amino-N-[6-[(5-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (CID 134338649) is 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is Cc1cccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(C)cc2C)CCN3)c1.
What is the InChIKey of 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is BXNWHYDDSTWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-18-6-5-7-22(14-18)15-23-8-9-27-25(16-23)28(10-11-31-27)32-29(33)26(30)17-24-20(3)12-19(2)13-21(24)4/h5-9,12-14,16,26,28,31H,10-11,15,17,30H2,1-4H3,(H,32,33).
What are the key properties of 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 441.62 g/mol, XLogP of 5.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 134338649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).