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

C28H33N3O2 — CID 134345143

IUPAC2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
SMILESCc1ccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(O)cc2C)CCN3)cc1
InChIInChI=1S/C28H33N3O2/c1-17-4-6-20(7-5-17)14-21-8-9-26-24(15-21)27(10-11-30-26)31-28(33)25(29)16-23-18(2)12-22(32)13-19(23)3/h4-9,12-13,15,25,27,30,32H,10-11,14,16,29H2,1-3H3,(H,31,33)
InChIKeyIJPHCXZVKLDRFO-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.45
Rot. Bonds6

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

2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide (PubChem CID 134345143) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
PubChem CID134345143
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide
SMILESCc1ccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(O)cc2C)CCN3)cc1
InChIInChI=1S/C28H33N3O2/c1-17-4-6-20(7-5-17)14-21-8-9-26-24(15-21)27(10-11-30-26)31-28(33)25(29)16-23-18(2)12-22(32)13-19(23)3/h4-9,12-13,15,25,27,30,32H,10-11,14,16,29H2,1-3H3,(H,31,33)
InChIKeyIJPHCXZVKLDRFO-UHFFFAOYSA-N
XLogP4.45
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide?
The IUPAC name of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide (CID 134345143) is 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide is Cc1ccc(Cc2ccc3c(c2)C(NC(=O)C(N)Cc2c(C)cc(O)cc2C)CCN3)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide?
The InChIKey is IJPHCXZVKLDRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-17-4-6-20(7-5-17)14-21-8-9-26-24(15-21)27(10-11-30-26)31-28(33)25(29)16-23-18(2)12-22(32)13-19(23)3/h4-9,12-13,15,25,27,30,32H,10-11,14,16,29H2,1-3H3,(H,31,33).
What are the key properties of 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide?
2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide has a molecular weight of 443.59 g/mol, XLogP of 4.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[6-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]propanamide is sourced from PubChem (CID 134345143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).