[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate

C19H20ClN3O5 — CID 7757929

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
SMILESCOc1cccc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O5/c1-27-13-6-4-5-12(9-13)22-17(24)11-28-18(25)10-16(23-19(21)26)14-7-2-3-8-15(14)20/h2-9,16H,10-11H2,1H3,(H,22,24)(H3,21,23,26)/t16-/m1/s1
InChIKeyUAFHMGSWKYZSLJ-MRXNPFEDSA-N
MW405.84 g/mol
LogP2.63
Rot. Bonds8

About [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate

[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate (PubChem CID 7757929) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
PubChem CID7757929
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
SMILESCOc1cccc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClN3O5/c1-27-13-6-4-5-12(9-13)22-17(24)11-28-18(25)10-16(23-19(21)26)14-7-2-3-8-15(14)20/h2-9,16H,10-11H2,1H3,(H,22,24)(H3,21,23,26)/t16-/m1/s1
InChIKeyUAFHMGSWKYZSLJ-MRXNPFEDSA-N
XLogP2.63
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate with MolForge

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757798
[2-(3-methoxyanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227947
[2-(ethoxycarbonylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757828
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-sulfamoylphenyl)propanamide
CID 4846215
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757990
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732341
[2-(3-methoxyanilino)-2-oxoethyl] 4-(4-chloroanilino)-4-oxobutanoate
CID 17257762
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590569
[2-(3-methoxyanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2511947
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757815
[2-(3-methoxyanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 2588862
N'-(2,6-dichlorophenyl)-N-(3-methoxyphenyl)propanediamide
CID 108955596

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate (CID 7757929) is [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate is COc1cccc(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate?
The InChIKey is UAFHMGSWKYZSLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-27-13-6-4-5-12(9-13)22-17(24)11-28-18(25)10-16(23-19(21)26)14-7-2-3-8-15(14)20/h2-9,16H,10-11H2,1H3,(H,22,24)(H3,21,23,26)/t16-/m1/s1.
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate?
[2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate has a molecular weight of 405.84 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate is sourced from PubChem (CID 7757929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).