[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

C19H25NO5 — CID 7568305

IUPAC[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)O[C@@H]2CCCCC2=O)C(C)C)cc1
InChIInChI=1S/C19H25NO5/c1-12(2)17(19(23)25-16-7-5-4-6-15(16)21)20-18(22)13-8-10-14(24-3)11-9-13/h8-12,16-17H,4-7H2,1-3H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyFECZTPTYDIWXMN-SJORKVTESA-N
MW347.41 g/mol
LogP2.50
Rot. Bonds6

About [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate

[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (PubChem CID 7568305) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
PubChem CID7568305
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
SMILESCOc1ccc(C(=O)N[C@H](C(=O)O[C@@H]2CCCCC2=O)C(C)C)cc1
InChIInChI=1S/C19H25NO5/c1-12(2)17(19(23)25-16-7-5-4-6-15(16)21)20-18(22)13-8-10-14(24-3)11-9-13/h8-12,16-17H,4-7H2,1-3H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyFECZTPTYDIWXMN-SJORKVTESA-N
XLogP2.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate with MolForge

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Related Compounds

(2-oxocyclohexyl) 2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 42903349
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
(4-cyanophenyl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568289
4-methoxy-N-[3-methyl-1-oxo-1-[(2-oxopiperidin-1-yl)amino]butan-2-yl]benzamide
CID 47092664
(4-acetylphenyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 9138538
(2-amino-2-oxoethyl) (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568293
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
[2-methyl-1-(2-oxocyclohexyl)propyl] 4-methoxybenzoate
CID 101456370
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568540
methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate (CID 7568305) is [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is COc1ccc(C(=O)N[C@H](C(=O)O[C@@H]2CCCCC2=O)C(C)C)cc1.
What is the InChIKey of [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
The InChIKey is FECZTPTYDIWXMN-SJORKVTESA-N. The full InChI is InChI=1S/C19H25NO5/c1-12(2)17(19(23)25-16-7-5-4-6-15(16)21)20-18(22)13-8-10-14(24-3)11-9-13/h8-12,16-17H,4-7H2,1-3H3,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate?
[(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate has a molecular weight of 347.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxocyclohexyl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 7568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).