methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate

C24H28N2O8 — CID 2834246

IUPACmethyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
SMILESCOC(=O)c1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C24H28N2O8/c1-31-21(27)17-7-11-19(12-8-17)33-23(29)25-15-5-3-4-6-16-26-24(30)34-20-13-9-18(10-14-20)22(28)32-2/h7-14H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDZCNXIMEDDZPLO-UHFFFAOYSA-N
MW472.49 g/mol
LogP3.70
Rot. Bonds11

About methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate

methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate (PubChem CID 2834246) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
PubChem CID2834246
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Namemethyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate
SMILESCOC(=O)c1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C24H28N2O8/c1-31-21(27)17-7-11-19(12-8-17)33-23(29)25-15-5-3-4-6-16-26-24(30)34-20-13-9-18(10-14-20)22(28)32-2/h7-14H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDZCNXIMEDDZPLO-UHFFFAOYSA-N
XLogP3.70
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(hexylcarbamoyloxy)benzoate
CID 42646580
(4-ethoxyphenyl) N-[6-[(4-ethoxyphenoxy)carbonylamino]hexyl]carbamate
CID 67180754
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172
[4-[4-(butylcarbamoyloxy)phenyl]phenyl] N-butylcarbamate
CID 100978382
methyl 4-methoxycarbonyloxybenzoate
CID 584598
phenyl N-(4-methoxybutyl)carbamate
CID 61073944
[4-[4-(decylcarbamoyloxy)phenyl]sulfonylphenyl] N-decylcarbamate
CID 102112450
methyl 4-[[(2E,6Z)-nona-2,6-dienyl]carbamoyloxy]benzoate
CID 58895309
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate?
The IUPAC name of methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate (CID 2834246) is methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate.
What is the SMILES notation for methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate?
The canonical SMILES for methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate is COC(=O)c1ccc(OC(=O)NCCCCCCNC(=O)Oc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate?
The InChIKey is DZCNXIMEDDZPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8/c1-31-21(27)17-7-11-19(12-8-17)33-23(29)25-15-5-3-4-6-16-26-24(30)34-20-13-9-18(10-14-20)22(28)32-2/h7-14H,3-6,15-16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate?
methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate has a molecular weight of 472.49 g/mol, XLogP of 3.70, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-[(4-methoxycarbonylphenoxy)carbonylamino]hexylcarbamoyloxy]benzoate is sourced from PubChem (CID 2834246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).