[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate

C21H24N2O5 — CID 7616735

IUPAC[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18-11-9-16(10-12-18)20(25)15(2)28-19(24)13-14-22-21(26)23-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyPTMUQZATRCJZJN-OAHLLOKOSA-N
MW384.43 g/mol
LogP3.41
Rot. Bonds9

About [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate (PubChem CID 7616735) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate.

Molecular Properties

Compound Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
PubChem CID7616735
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
SMILESCCOc1ccc(C(=O)[C@@H](C)OC(=O)CCNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-3-27-18-11-9-16(10-12-18)20(25)15(2)28-19(24)13-14-22-21(26)23-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H2,22,23,26)/t15-/m1/s1
InChIKeyPTMUQZATRCJZJN-OAHLLOKOSA-N
XLogP3.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805428
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate
CID 7805323
(1-oxo-1-phenylpropan-2-yl) 3-(4-ethoxyphenoxy)propanoate
CID 55317467
[1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46810368
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
[1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(4-phenylphenoxy)acetate
CID 42984082
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492
[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384493
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606590
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(2-ethoxyphenoxy)acetate
CID 7729259
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate?
The IUPAC name of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate (CID 7616735) is [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate.
What is the SMILES notation for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate?
The canonical SMILES for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate is CCOc1ccc(C(=O)[C@@H](C)OC(=O)CCNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate?
The InChIKey is PTMUQZATRCJZJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-27-18-11-9-16(10-12-18)20(25)15(2)28-19(24)13-14-22-21(26)23-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3,(H2,22,23,26)/t15-/m1/s1.
What are the key properties of [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate?
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate has a molecular weight of 384.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(phenylcarbamoylamino)propanoate is sourced from PubChem (CID 7616735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).