methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate

C24H27N3O6 — CID 102334177

IUPACmethyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
InChIInChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
InChIKeySJMVPTALAWSUTM-UHFFFAOYSA-N
MW453.50 g/mol
LogP2.93
Rot. Bonds11

About methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate

methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate (PubChem CID 102334177) has the molecular formula C24H27N3O6 and a molecular weight of 453.50 g/mol. Its IUPAC name is methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate
PubChem CID102334177
Molecular FormulaC24H27N3O6
Molecular Weight453.50 g/mol
Exact Mass453.19
IUPAC Namemethyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1
InChIInChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32)
InChIKeySJMVPTALAWSUTM-UHFFFAOYSA-N
XLogP2.93
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate with MolForge

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Related Compounds

methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]-N-butylbenzamide
CID 4061795
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
methyl 4-benzamidobutanoate
CID 13197711
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
2-(2-acetamidophenyl)-N-(4-ethylphenyl)-2-oxoacetamide;ethane
CID 143694562
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
methyl 6-[(4-sulfamoylbenzoyl)amino]hexanoate
CID 25181352
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate
CID 8618429

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate (CID 102334177) is methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1.
What is the InChIKey of methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate?
The InChIKey is SJMVPTALAWSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6/c1-16(28)26-20-9-6-5-8-19(20)22(30)24(32)27-18-13-11-17(12-14-18)23(31)25-15-7-3-4-10-21(29)33-2/h5-6,8-9,11-14H,3-4,7,10,15H2,1-2H3,(H,25,31)(H,26,28)(H,27,32).
What are the key properties of methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate?
methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate has a molecular weight of 453.50 g/mol, XLogP of 2.93, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]benzoyl]amino]hexanoate is sourced from PubChem (CID 102334177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).