tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

C20H32N2O4 — CID 3766020

IUPACtert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCc1cc(C)cc(NC(=O)NC(COC(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H32N2O4/c1-13-9-14(2)11-15(10-13)21-18(24)22-16(12-25-19(3,4)5)17(23)26-20(6,7)8/h9-11,16H,12H2,1-8H3,(H2,21,22,24)
InChIKeyHVNPTZMCSJQVNQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.95
Rot. Bonds5

About tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate

tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 3766020) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID3766020
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Nametert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCc1cc(C)cc(NC(=O)NC(COC(C)(C)C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H32N2O4/c1-13-9-14(2)11-15(10-13)21-18(24)22-16(12-25-19(3,4)5)17(23)26-20(6,7)8/h9-11,16H,12H2,1-8H3,(H2,21,22,24)
InChIKeyHVNPTZMCSJQVNQ-UHFFFAOYSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate (CID 3766020) is tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is Cc1cc(C)cc(NC(=O)NC(COC(C)(C)C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is HVNPTZMCSJQVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13-9-14(2)11-15(10-13)21-18(24)22-16(12-25-19(3,4)5)17(23)26-20(6,7)8/h9-11,16H,12H2,1-8H3,(H2,21,22,24).
What are the key properties of tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate?
tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 364.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 3766020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).