ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate

C20H29NO5 — CID 167953805

IUPACethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCCO1)NC(=O)C(C)(OC)c1ccccc1
InChIInChI=1S/C20H29NO5/c1-4-25-18(22)17(14-16-12-8-9-13-26-16)21-19(23)20(2,24-3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeyLLUARYQWYCFNID-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.56
Rot. Bonds8

About ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate

ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate (PubChem CID 167953805) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate
PubChem CID167953805
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Nameethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate
SMILESCCOC(=O)C(CC1CCCCO1)NC(=O)C(C)(OC)c1ccccc1
InChIInChI=1S/C20H29NO5/c1-4-25-18(22)17(14-16-12-8-9-13-26-16)21-19(23)20(2,24-3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,21,23)
InChIKeyLLUARYQWYCFNID-UHFFFAOYSA-N
XLogP2.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(oxan-2-yloxy)-2-phenylpropanoate
CID 100974309
ethyl 2-(aminomethyl)-3-(oxan-2-yl)-2-phenylpropanoate
CID 106509550
ethyl 2-methoxy-3-(oxan-2-yl)propanoate
CID 10727451
(2S)-2-methoxy-2-phenyl-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]propanamide
CID 129471102
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
ethyl 4-[[(2R)-oxan-2-yl]methyl]-1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42117656
benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
CID 169233030
ethyl (2S)-2-[(2S)-oxan-2-yl]oxy-4-phenylbutanoate
CID 139682584
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate?
The IUPAC name of ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate (CID 167953805) is ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate?
The canonical SMILES for ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate is CCOC(=O)C(CC1CCCCO1)NC(=O)C(C)(OC)c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate?
The InChIKey is LLUARYQWYCFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-4-25-18(22)17(14-16-12-8-9-13-26-16)21-19(23)20(2,24-3)15-10-6-5-7-11-15/h5-7,10-11,16-17H,4,8-9,12-14H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate?
ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate has a molecular weight of 363.45 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-2-phenylpropanoyl)amino]-3-(oxan-2-yl)propanoate is sourced from PubChem (CID 167953805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).