methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate

C19H21NO4 — CID 95783989

IUPACmethyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-8-15(9-5-13)18(19(22)24-3)20-17(21)12-14-6-10-16(23-2)11-7-14/h4-11,18H,12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyDCVMKLXHQFFYDO-SFHVURJKSA-N
MW327.38 g/mol
LogP2.58
Rot. Bonds6

About methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate

methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate (PubChem CID 95783989) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
PubChem CID95783989
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate
SMILESCOC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO4/c1-13-4-8-15(9-5-13)18(19(22)24-3)20-17(21)12-14-6-10-16(23-2)11-7-14/h4-11,18H,12H2,1-3H3,(H,20,21)/t18-/m0/s1
InChIKeyDCVMKLXHQFFYDO-SFHVURJKSA-N
XLogP2.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
methyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 60991897
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
methyl 2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-(4-methoxyphenyl)acetate
CID 10180421
2-[(2-methoxyacetyl)amino]-2-(4-methoxyphenyl)acetamide
CID 75080759
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate?
The IUPAC name of methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate (CID 95783989) is methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate?
The canonical SMILES for methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate is COC(=O)[C@@H](NC(=O)Cc1ccc(OC)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate?
The InChIKey is DCVMKLXHQFFYDO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13-4-8-15(9-5-13)18(19(22)24-3)20-17(21)12-14-6-10-16(23-2)11-7-14/h4-11,18H,12H2,1-3H3,(H,20,21)/t18-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate?
methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate has a molecular weight of 327.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]-2-(4-methylphenyl)acetate is sourced from PubChem (CID 95783989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).