[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

C21H24N2O7 — CID 7821118

IUPAC[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1OCC
InChIInChI=1S/C21H24N2O7/c1-3-28-16-11-10-15(12-17(16)29-4-2)22-21(27)23-18(24)13-30-20(26)19(25)14-8-6-5-7-9-14/h5-12,19,25H,3-4,13H2,1-2H3,(H2,22,23,24,27)/t19-/m0/s1
InChIKeyWEWQSWIMTFJQLA-IBGZPJMESA-N
MW416.43 g/mol
LogP2.41
Rot. Bonds9

About [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate

[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (PubChem CID 7821118) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
PubChem CID7821118
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
SMILESCCOc1ccc(NC(=O)NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1OCC
InChIInChI=1S/C21H24N2O7/c1-3-28-16-11-10-15(12-17(16)29-4-2)22-21(27)23-18(24)13-30-20(26)19(25)14-8-6-5-7-9-14/h5-12,19,25H,3-4,13H2,1-2H3,(H2,22,23,24,27)/t19-/m0/s1
InChIKeyWEWQSWIMTFJQLA-IBGZPJMESA-N
XLogP2.41
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyanilino)-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834231
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] furan-2-carboxylate
CID 7813816
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798734
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414037
1-(3,4-diethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867070
[2-[(3,4-dipropoxyphenyl)carbamoylamino]-2-oxoethyl] propanoate
CID 7851101
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 7756293
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 8605339
[2-(3,4-diethoxyanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 51478485
N-[(3,4-diethoxyphenyl)carbamoyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712469
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049982

Frequently Asked Questions

What is the IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The IUPAC name of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate (CID 7821118) is [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The canonical SMILES for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is CCOc1ccc(NC(=O)NC(=O)COC(=O)[C@@H](O)c2ccccc2)cc1OCC.
What is the InChIKey of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
The InChIKey is WEWQSWIMTFJQLA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N2O7/c1-3-28-16-11-10-15(12-17(16)29-4-2)22-21(27)23-18(24)13-30-20(26)19(25)14-8-6-5-7-9-14/h5-12,19,25H,3-4,13H2,1-2H3,(H2,22,23,24,27)/t19-/m0/s1.
What are the key properties of [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate?
[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate has a molecular weight of 416.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 7821118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).