[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate

C23H28N2O5 — CID 7827606

IUPAC[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-15(2)17-9-11-18(12-10-17)25-22(27)16(3)30-21(26)13-14-24-23(28)19-7-5-6-8-20(19)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKeyJFEYSSKGXWCFJL-MRXNPFEDSA-N
MW412.49 g/mol
LogP3.51
Rot. Bonds9

About [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827606) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827606
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCOc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O5/c1-15(2)17-9-11-18(12-10-17)25-22(27)16(3)30-21(26)13-14-24-23(28)19-7-5-6-8-20(19)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKeyJFEYSSKGXWCFJL-MRXNPFEDSA-N
XLogP3.51
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate with MolForge

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Related Compounds

[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827587
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735955
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736003
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735978
[(2R)-1-anilino-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827234
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736013
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxyacetate
CID 8018761
(1-anilino-1-oxopropan-2-yl) 3-[(2-phenylacetyl)amino]propanoate
CID 46695851
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate
CID 7851287
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736034
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736036

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827606) is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate is COc1ccccc1C(=O)NCCC(=O)O[C@H](C)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is JFEYSSKGXWCFJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15(2)17-9-11-18(12-10-17)25-22(27)16(3)30-21(26)13-14-24-23(28)19-7-5-6-8-20(19)29-4/h5-12,15-16H,13-14H2,1-4H3,(H,24,28)(H,25,27)/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate?
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 412.49 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).