(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C19H35NO4 — CID 162724636

IUPAC(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H35NO4/c1-17(2,3)13-9-11-14(12-10-13)23-15(21)19(7,8)20-16(22)24-18(4,5)6/h13-14H,9-12H2,1-8H3,(H,20,22)
InChIKeyBPHREPRLCDHKNZ-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.44
Rot. Bonds3

About (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 162724636) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID162724636
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)(C)OC(=O)NC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H35NO4/c1-17(2,3)13-9-11-14(12-10-13)23-15(21)19(7,8)20-16(22)24-18(4,5)6/h13-14H,9-12H2,1-8H3,(H,20,22)
InChIKeyBPHREPRLCDHKNZ-UHFFFAOYSA-N
XLogP4.44
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 162724636) is (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC(=O)NC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is BPHREPRLCDHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-17(2,3)13-9-11-14(12-10-13)23-15(21)19(7,8)20-16(22)24-18(4,5)6/h13-14H,9-12H2,1-8H3,(H,20,22).
What are the key properties of (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 341.49 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 162724636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).