[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate

C21H24ClNO4 — CID 9384511

IUPAC[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)O[C@H](C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClNO4/c1-3-26-19-11-7-5-8-16(19)12-13-20(24)27-15(2)21(25)23-14-17-9-4-6-10-18(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyLIHVFNAVJDKAID-OAHLLOKOSA-N
MW389.88 g/mol
LogP3.92
Rot. Bonds9

About [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate

[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate (PubChem CID 9384511) has the molecular formula C21H24ClNO4 and a molecular weight of 389.88 g/mol. Its IUPAC name is [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
PubChem CID9384511
Molecular FormulaC21H24ClNO4
Molecular Weight389.88 g/mol
Exact Mass389.14
IUPAC Name[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)O[C@H](C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H24ClNO4/c1-3-26-19-11-7-5-8-16(19)12-13-20(24)27-15(2)21(25)23-14-17-9-4-6-10-18(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyLIHVFNAVJDKAID-OAHLLOKOSA-N
XLogP3.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 55418939
[(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
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384504
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524461
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695065
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)acetate
CID 46618850
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 7524359
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384515
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384497
[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384506
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383558

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate (CID 9384511) is [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)O[C@H](C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
The InChIKey is LIHVFNAVJDKAID-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24ClNO4/c1-3-26-19-11-7-5-8-16(19)12-13-20(24)27-15(2)21(25)23-14-17-9-4-6-10-18(17)22/h4-11,15H,3,12-14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate?
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate has a molecular weight of 389.88 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 9384511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).