2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate

C58H82N4O21 — CID 167635095

IUPAC2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate
SMILESCc1ccc(C)c(CC(=O)OCCOCCOC(=O)Cc2cc(NC(=O)OCCOCCO)ccc2C)c1.Cc1ccc(NC(=O)OCCOCCO)cc1CC(=O)OCCOCCO.Cc1ccc(NC(=O)OCCOCCO)cc1N
InChIInChI=1S/C28H37NO9.C18H27NO8.C12H18N2O4/c1-20-4-5-21(2)23(16-20)18-26(31)36-13-10-35-11-14-37-27(32)19-24-17-25(7-6-22(24)3)29-28(33)38-15-12-34-9-8-30;1-14-2-3-16(19-18(23)27-11-9-25-7-5-21)12-15(14)13-17(22)26-10-8-24-6-4-20;1-9-2-3-10(8-11(9)13)14-12(16)18-7-6-17-5-4-15/h4-7,16-17,30H,8-15,18-19H2,1-3H3,(H,29,33);2-3,12,20-21H,4-11,13H2,1H3,(H,19,23);2-3,8,15H,4-7,13H2,1H3,(H,14,16)
InChIKeyOJAOAJFCFSTUSB-UHFFFAOYSA-N
MW1171.30 g/mol
LogP4.84
Rot. Bonds35

About 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate

2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate (PubChem CID 167635095) has the molecular formula C58H82N4O21 and a molecular weight of 1171.30 g/mol. Its IUPAC name is 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate.

Molecular Properties

Compound Name2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate
PubChem CID167635095
Molecular FormulaC58H82N4O21
Molecular Weight1171.30 g/mol
Exact Mass1170.55
IUPAC Name2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate
SMILESCc1ccc(C)c(CC(=O)OCCOCCOC(=O)Cc2cc(NC(=O)OCCOCCO)ccc2C)c1.Cc1ccc(NC(=O)OCCOCCO)cc1CC(=O)OCCOCCO.Cc1ccc(NC(=O)OCCOCCO)cc1N
InChIInChI=1S/C28H37NO9.C18H27NO8.C12H18N2O4/c1-20-4-5-21(2)23(16-20)18-26(31)36-13-10-35-11-14-37-27(32)19-24-17-25(7-6-22(24)3)29-28(33)38-15-12-34-9-8-30;1-14-2-3-16(19-18(23)27-11-9-25-7-5-21)12-15(14)13-17(22)26-10-8-24-6-4-20;1-9-2-3-10(8-11(9)13)14-12(16)18-7-6-17-5-4-15/h4-7,16-17,30H,8-15,18-19H2,1-3H3,(H,29,33);2-3,12,20-21H,4-11,13H2,1H3,(H,19,23);2-3,8,15H,4-7,13H2,1H3,(H,14,16)
InChIKeyOJAOAJFCFSTUSB-UHFFFAOYSA-N
XLogP4.84
TPSA346.98 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds35
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.30
LogP ≤ 54.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate with MolForge

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Related Compounds

2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate
CID 140960691
4-methylbenzene-1,3-diamine;methyl 2-[5-(methoxycarbonylamino)-2-methylphenyl]acetate
CID 163530490
N-(3-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)acetamide
CID 62537999
2-ethoxyethyl N-(4-methylphenyl)carbamate
CID 4614670
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
methyl 2-(5-hydrazinyl-2-methylphenyl)acetate
CID 130777805
2-hydroxyethyl N-(4-methyl-3-nitrophenyl)carbamate
CID 79345948
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
N-[2-(2-aminoethoxy)ethyl]-2-(2,5-dimethylphenyl)acetamide
CID 63756094
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate?
The IUPAC name of 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate (CID 167635095) is 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate.
What is the SMILES notation for 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate?
The canonical SMILES for 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate is Cc1ccc(C)c(CC(=O)OCCOCCOC(=O)Cc2cc(NC(=O)OCCOCCO)ccc2C)c1.Cc1ccc(NC(=O)OCCOCCO)cc1CC(=O)OCCOCCO.Cc1ccc(NC(=O)OCCOCCO)cc1N.
What is the InChIKey of 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate?
The InChIKey is OJAOAJFCFSTUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO9.C18H27NO8.C12H18N2O4/c1-20-4-5-21(2)23(16-20)18-26(31)36-13-10-35-11-14-37-27(32)19-24-17-25(7-6-22(24)3)29-28(33)38-15-12-34-9-8-30;1-14-2-3-16(19-18(23)27-11-9-25-7-5-21)12-15(14)13-17(22)26-10-8-24-6-4-20;1-9-2-3-10(8-11(9)13)14-12(16)18-7-6-17-5-4-15/h4-7,16-17,30H,8-15,18-19H2,1-3H3,(H,29,33);2-3,12,20-21H,4-11,13H2,1H3,(H,19,23);2-3,8,15H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate?
2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate has a molecular weight of 1171.30 g/mol, XLogP of 4.84, 35 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetyl]oxyethoxy]ethyl 2-(2,5-dimethylphenyl)acetate;2-(2-hydroxyethoxy)ethyl N-(3-amino-4-methylphenyl)carbamate;2-(2-hydroxyethoxy)ethyl 2-[5-[2-(2-hydroxyethoxy)ethoxycarbonylamino]-2-methylphenyl]acetate is sourced from PubChem (CID 167635095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).