methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate

C18H25NO5 — CID 167758243

IUPACmethyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(NC(=O)COCC1CCCC1)c1ccccc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-10-6-5-9-14(15)17(18(21)23-2)19-16(20)12-24-11-13-7-3-4-8-13/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyMALPRYQAOQKHHG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.23
Rot. Bonds8

About methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate

methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate (PubChem CID 167758243) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate
PubChem CID167758243
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate
SMILESCOC(=O)C(NC(=O)COCC1CCCC1)c1ccccc1OC
InChIInChI=1S/C18H25NO5/c1-22-15-10-6-5-9-14(15)17(18(21)23-2)19-16(20)12-24-11-13-7-3-4-8-13/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3,(H,19,20)
InChIKeyMALPRYQAOQKHHG-UHFFFAOYSA-N
XLogP2.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate?
The IUPAC name of methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate (CID 167758243) is methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate is COC(=O)C(NC(=O)COCC1CCCC1)c1ccccc1OC.
What is the InChIKey of methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate?
The InChIKey is MALPRYQAOQKHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-15-10-6-5-9-14(15)17(18(21)23-2)19-16(20)12-24-11-13-7-3-4-8-13/h5-6,9-10,13,17H,3-4,7-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate?
methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate has a molecular weight of 335.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopentylmethoxy)acetyl]amino]-2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 167758243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).