[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate

C20H24N2O4 — CID 108865660

IUPAC[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-5-25-19(24)26-15-12-10-14(11-13-15)21-18(23)22-17-9-7-6-8-16(17)20(2,3)4/h6-13H,5H2,1-4H3,(H2,21,22,23)
InChIKeyKVMVJSGSFUCNDL-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.16
Rot. Bonds4

About [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate

[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate (PubChem CID 108865660) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
PubChem CID108865660
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C20H24N2O4/c1-5-25-19(24)26-15-12-10-14(11-13-15)21-18(23)22-17-9-7-6-8-16(17)20(2,3)4/h6-13H,5H2,1-4H3,(H2,21,22,23)
InChIKeyKVMVJSGSFUCNDL-UHFFFAOYSA-N
XLogP5.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[(2-methylphenyl)carbamoylamino]phenyl] carbonate
CID 108865434
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530
ethyl 2-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]acetate
CID 108865742
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl [4-[(2-fluorophenyl)methylcarbamoylamino]phenyl] carbonate
CID 108865684
[4-[(2,4-dimethoxyphenyl)carbamoylamino]phenyl] ethyl carbonate
CID 108865595
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631
[4-[3-(dimethylamino)propylcarbamoylamino]phenyl] ethyl carbonate
CID 108865603

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate?
The IUPAC name of [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate (CID 108865660) is [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate?
The canonical SMILES for [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(NC(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate?
The InChIKey is KVMVJSGSFUCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-25-19(24)26-15-12-10-14(11-13-15)21-18(23)22-17-9-7-6-8-16(17)20(2,3)4/h6-13H,5H2,1-4H3,(H2,21,22,23).
What are the key properties of [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate?
[4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate has a molecular weight of 356.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butylphenyl)carbamoylamino]phenyl] ethyl carbonate is sourced from PubChem (CID 108865660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).