[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate

C21H26N2O5 — CID 108865505

IUPAC[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC(C)c2cc(C)ccc2OCC)cc1
InChIInChI=1S/C21H26N2O5/c1-5-26-19-12-7-14(3)13-18(19)15(4)22-20(24)23-16-8-10-17(11-9-16)28-21(25)27-6-2/h7-13,15H,5-6H2,1-4H3,(H2,22,23,24)
InChIKeyYZWDMLQMNWKCOF-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.81
Rot. Bonds7

About [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate

[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate (PubChem CID 108865505) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
PubChem CID108865505
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC(C)c2cc(C)ccc2OCC)cc1
InChIInChI=1S/C21H26N2O5/c1-5-26-19-12-7-14(3)13-18(19)15(4)22-20(24)23-16-8-10-17(11-9-16)28-21(25)27-6-2/h7-13,15H,5-6H2,1-4H3,(H2,22,23,24)
InChIKeyYZWDMLQMNWKCOF-UHFFFAOYSA-N
XLogP4.81
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
1-(1-adamantyl)-3-[1-(2-ethoxy-5-methylphenyl)ethyl]urea
CID 108895977
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108867649
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108873604
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate?
The IUPAC name of [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate (CID 108865505) is [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate?
The canonical SMILES for [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(NC(=O)NC(C)c2cc(C)ccc2OCC)cc1.
What is the InChIKey of [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate?
The InChIKey is YZWDMLQMNWKCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-26-19-12-7-14(3)13-18(19)15(4)22-20(24)23-16-8-10-17(11-9-16)28-21(25)27-6-2/h7-13,15H,5-6H2,1-4H3,(H2,22,23,24).
What are the key properties of [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate?
[4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate has a molecular weight of 386.45 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-ethoxy-5-methylphenyl)ethylcarbamoylamino]phenyl] ethyl carbonate is sourced from PubChem (CID 108865505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).