methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate

C21H25NO4 — CID 97019366

IUPACmethyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
SMILESCOC(=O)[C@H](C)CC(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-16(21(24)25-2)12-20(23)22-13-18-10-6-7-11-19(18)15-26-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyNUZMGKALZLXWML-MRXNPFEDSA-N
MW355.43 g/mol
LogP3.22
Rot. Bonds9

About methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate

methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate (PubChem CID 97019366) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
PubChem CID97019366
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namemethyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
SMILESCOC(=O)[C@H](C)CC(=O)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-16(21(24)25-2)12-20(23)22-13-18-10-6-7-11-19(18)15-26-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyNUZMGKALZLXWML-MRXNPFEDSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[[2-(phenylmethoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588541
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 119949733
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949732
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
methyl 3-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]benzoate
CID 55766169
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate?
The IUPAC name of methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate (CID 97019366) is methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate.
What is the SMILES notation for methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate?
The canonical SMILES for methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate is COC(=O)[C@H](C)CC(=O)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate?
The InChIKey is NUZMGKALZLXWML-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO4/c1-16(21(24)25-2)12-20(23)22-13-18-10-6-7-11-19(18)15-26-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate?
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate has a molecular weight of 355.43 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate is sourced from PubChem (CID 97019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).