[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

C18H27NO5 — CID 18201495

IUPAC[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)CCCC(C)C)c(O)c1
InChIInChI=1S/C18H27NO5/c1-12(2)6-5-7-13(3)19-17(21)11-24-18(22)15-9-8-14(23-4)10-16(15)20/h8-10,12-13,20H,5-7,11H2,1-4H3,(H,19,21)
InChIKeyZXPHIZNOVIDWCI-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.89
Rot. Bonds9

About [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 18201495) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID18201495
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)CCCC(C)C)c(O)c1
InChIInChI=1S/C18H27NO5/c1-12(2)6-5-7-13(3)19-17(21)11-24-18(22)15-9-8-14(23-4)10-16(15)20/h8-10,12-13,20H,5-7,11H2,1-4H3,(H,19,21)
InChIKeyZXPHIZNOVIDWCI-UHFFFAOYSA-N
XLogP2.89
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406247
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 55324979
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 18201311
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 46608312
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2524285
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-amino-5-methoxybenzoate
CID 61489345
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2645350
[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 9019974
2-(4-aminophenoxy)-N-(6-methylheptan-2-yl)acetamide
CID 61036016
[2-[[(2R)-6-methylheptan-2-yl]amino]-2-oxoethyl] 2H-benzotriazole-4-carboxylate
CID 99794821

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (CID 18201495) is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(C)CCCC(C)C)c(O)c1.
What is the InChIKey of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is ZXPHIZNOVIDWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-12(2)6-5-7-13(3)19-17(21)11-24-18(22)15-9-8-14(23-4)10-16(15)20/h8-10,12-13,20H,5-7,11H2,1-4H3,(H,19,21).
What are the key properties of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 337.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 18201495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).