quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate

C24H26N2O4 — CID 16580178

IUPACquinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cccc2cccnc12)C(C)C
InChIInChI=1S/C24H26N2O4/c1-4-29-20-13-6-5-12-19(20)23(27)26-21(16(2)3)24(28)30-15-18-10-7-9-17-11-8-14-25-22(17)18/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyFVYNVTYFEVMZJT-NRFANRHFSA-N
MW406.48 g/mol
LogP4.13
Rot. Bonds8

About quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate

quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 16580178) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namequinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
PubChem CID16580178
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Namequinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cccc2cccnc12)C(C)C
InChIInChI=1S/C24H26N2O4/c1-4-29-20-13-6-5-12-19(20)23(27)26-21(16(2)3)24(28)30-15-18-10-7-9-17-11-8-14-25-22(17)18/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1
InChIKeyFVYNVTYFEVMZJT-NRFANRHFSA-N
XLogP4.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

quinolin-8-ylmethyl (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate
CID 24576886
(4-methylphenyl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568758
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
(2-phenyl-1,3-oxazol-4-yl)methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16564892
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
quinolin-8-ylmethyl (2S)-2-[(4-chloro-3-nitrobenzoyl)amino]-3-methylbutanoate
CID 16961237
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659
2-ethoxy-N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 2712984
[1-oxo-1-(propylamino)propan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 18231292
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568781
[2-(3-methylanilino)-2-oxoethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568713
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 41272254

Frequently Asked Questions

What is the IUPAC name of quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate (CID 16580178) is quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate is CCOc1ccccc1C(=O)N[C@H](C(=O)OCc1cccc2cccnc12)C(C)C.
What is the InChIKey of quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is FVYNVTYFEVMZJT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-4-29-20-13-6-5-12-19(20)23(27)26-21(16(2)3)24(28)30-15-18-10-7-9-17-11-8-14-25-22(17)18/h5-14,16,21H,4,15H2,1-3H3,(H,26,27)/t21-/m0/s1.
What are the key properties of quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate?
quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 406.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-ylmethyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 16580178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).