methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate

C21H25NO5 — CID 10737969

IUPACmethyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)27-20(24)22(16-11-13-17(25-4)14-12-16)18(19(23)26-5)15-9-7-6-8-10-15/h6-14,18H,1-5H3/t18-/m1/s1
InChIKeyGACMJXIPWBAZGH-GOSISDBHSA-N
MW371.43 g/mol
LogP4.35
Rot. Bonds5

About methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate

methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate (PubChem CID 10737969) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
PubChem CID10737969
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Namemethyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
SMILESCOC(=O)[C@@H](c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C21H25NO5/c1-21(2,3)27-20(24)22(16-11-13-17(25-4)14-12-16)18(19(23)26-5)15-9-7-6-8-10-15/h6-14,18H,1-5H3/t18-/m1/s1
InChIKeyGACMJXIPWBAZGH-GOSISDBHSA-N
XLogP4.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate with MolForge

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Related Compounds

tert-butyl N-[(1R)-2-hydroxy-4-methyl-1-phenylpent-3-enyl]-N-(4-methoxyphenyl)carbamate
CID 135021424
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[(1S)-1-phenylethyl]amino]-2-phenylacetate
CID 101155770
tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
CID 102091617
methyl (2S)-2-[4-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetate
CID 59567892
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
CID 102422210
2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-phenylacetic acid
CID 172791429
tert-butyl N-[(R)-deuterio(phenyl)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]carbamate
CID 136864069
2-[[2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534933
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]propanoic acid
CID 156534930
N-[2-(N-[2-(tert-butylamino)-2-oxo-1-phenylethyl]-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215912
tert-butyl N-[(S)-(4-methoxyphenyl)-sulfamoylmethyl]-N-(3-phenylpropyl)carbamate
CID 70037790

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate (CID 10737969) is methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate is COC(=O)[C@@H](c1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate?
The InChIKey is GACMJXIPWBAZGH-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25NO5/c1-21(2,3)27-20(24)22(16-11-13-17(25-4)14-12-16)18(19(23)26-5)15-9-7-6-8-10-15/h6-14,18H,1-5H3/t18-/m1/s1.
What are the key properties of methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate?
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate has a molecular weight of 371.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate is sourced from PubChem (CID 10737969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).