(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

C24H32BrN3O — CID 134338767

IUPAC(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
SMILESCCCc1cc(Br)cc2c1NCC[C@H]2NC(=O)[C@@H](N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C24H32BrN3O/c1-5-6-17-11-18(25)12-20-22(7-8-27-23(17)20)28-24(29)21(26)13-19-15(3)9-14(2)10-16(19)4/h9-12,21-22,27H,5-8,13,26H2,1-4H3,(H,28,29)/t21-,22+/m0/s1
InChIKeySEHYUETUCHTLAG-FCHUYYIVSA-N
MW458.44 g/mol
LogP4.87
Rot. Bonds6

About (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (PubChem CID 134338767) has the molecular formula C24H32BrN3O and a molecular weight of 458.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
PubChem CID134338767
Molecular FormulaC24H32BrN3O
Molecular Weight458.44 g/mol
Exact Mass457.17
IUPAC Name(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
SMILESCCCc1cc(Br)cc2c1NCC[C@H]2NC(=O)[C@@H](N)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C24H32BrN3O/c1-5-6-17-11-18(25)12-20-22(7-8-27-23(17)20)28-24(29)21(26)13-19-15(3)9-14(2)10-16(19)4/h9-12,21-22,27H,5-8,13,26H2,1-4H3,(H,28,29)/t21-,22+/m0/s1
InChIKeySEHYUETUCHTLAG-FCHUYYIVSA-N
XLogP4.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(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)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338725
2-amino-N-[6-[(3-methylphenyl)methyl]-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
CID 134338649
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
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
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-[(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
(2S)-2-amino-N-[(4S)-7-benzyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 134345448
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
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (CID 134338767) is (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is CCCc1cc(Br)cc2c1NCC[C@H]2NC(=O)[C@@H](N)Cc1c(C)cc(C)cc1C.
What is the InChIKey of (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is SEHYUETUCHTLAG-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H32BrN3O/c1-5-6-17-11-18(25)12-20-22(7-8-27-23(17)20)28-24(29)21(26)13-19-15(3)9-14(2)10-16(19)4/h9-12,21-22,27H,5-8,13,26H2,1-4H3,(H,28,29)/t21-,22+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?
(2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 458.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4R)-6-bromo-8-propyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 134338767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).