[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

C20H22N2O6 — CID 7766423

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-12(20(25)22-15-7-5-14(6-8-15)19(21)24)28-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyYFSMYCDGZKCAMU-GFCCVEGCSA-N
MW386.40 g/mol
LogP1.92
Rot. Bonds8

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 7766423) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID7766423
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC
InChIInChI=1S/C20H22N2O6/c1-12(20(25)22-15-7-5-14(6-8-15)19(21)24)28-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1
InChIKeyYFSMYCDGZKCAMU-GFCCVEGCSA-N
XLogP1.92
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7765594
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724845
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667089
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667288
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534348
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459669
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738303
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968883

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate (CID 7766423) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is YFSMYCDGZKCAMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-12(20(25)22-15-7-5-14(6-8-15)19(21)24)28-18(23)11-13-4-9-16(26-2)17(10-13)27-3/h4-10,12H,11H2,1-3H3,(H2,21,24)(H,22,25)/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 386.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 7766423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).