methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate

C18H24N2O5 — CID 56764356

IUPACmethyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-25-18(24)13-7-9-14(10-8-13)20-17(23)16(22)19-11-15(21)12-5-3-2-4-6-12/h7-10,12,15,21H,2-6,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyFLPWOMGUFSNKHM-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.47
Rot. Bonds5

About methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate

methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate (PubChem CID 56764356) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate
PubChem CID56764356
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-25-18(24)13-7-9-14(10-8-13)20-17(23)16(22)19-11-15(21)12-5-3-2-4-6-12/h7-10,12,15,21H,2-6,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyFLPWOMGUFSNKHM-UHFFFAOYSA-N
XLogP1.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate with MolForge

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Related Compounds

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 95347120
N-(2-cyclohexyl-2-hydroxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 56764347
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
cyclohexylmethanediol;4-methoxycarbonylbenzoic acid
CID 175571680
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
methyl 4-[[6-(cycloheptylamino)pyridine-3-carbonyl]amino]benzoate
CID 109161045
methyl 4-[(R)-amino(cyclohexyl)methyl]benzoate
CID 171212686
methyl 4-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 44999647
methyl 4-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108524295

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate (CID 56764356) is methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C(=O)NCC(O)C2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate?
The InChIKey is FLPWOMGUFSNKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-25-18(24)13-7-9-14(10-8-13)20-17(23)16(22)19-11-15(21)12-5-3-2-4-6-12/h7-10,12,15,21H,2-6,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate?
methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate has a molecular weight of 348.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 56764356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).