ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate

C24H28N2O6 — CID 42582977

IUPACethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O6/c1-4-31-23(29)18-10-12-19(13-11-18)25-21(27)15-32-24(30)20(14-16(2)3)26-22(28)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyZXQJDSKNYVPRNR-FQEVSTJZSA-N
MW440.50 g/mol
LogP3.19
Rot. Bonds10

About ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate

ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate (PubChem CID 42582977) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
PubChem CID42582977
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Nameethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O6/c1-4-31-23(29)18-10-12-19(13-11-18)25-21(27)15-32-24(30)20(14-16(2)3)26-22(28)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyZXQJDSKNYVPRNR-FQEVSTJZSA-N
XLogP3.19
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[2-[(2R)-2-benzamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]benzoate
CID 51448629
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
CID 8791486
[2-(naphthalen-1-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylpentanoate
CID 7324020
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
2-[(4-benzamidobenzoyl)amino]-4-methylpentanoic acid
CID 119188161
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012
ethyl 4-[[2-[(2S)-2-phenoxybutanoyl]oxyacetyl]amino]benzoate
CID 7233328
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
[2-(4-bromoanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593861

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate (CID 42582977) is ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate?
The InChIKey is ZXQJDSKNYVPRNR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-31-23(29)18-10-12-19(13-11-18)25-21(27)15-32-24(30)20(14-16(2)3)26-22(28)17-8-6-5-7-9-17/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27)(H,26,28)/t20-/m0/s1.
What are the key properties of ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate?
ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate has a molecular weight of 440.50 g/mol, XLogP of 3.19, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 42582977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).