methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

C30H36N2O5 — CID 53381223

IUPACmethyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](NC(=O)OC(C)(C)C)COc1ccccc1-3
InChIInChI=1S/C30H36N2O5/c1-30(2,3)37-29(34)31-21-17-32-24-16-20(28(33)35-4)14-15-22(24)26(19-10-6-5-7-11-19)27(32)23-12-8-9-13-25(23)36-18-21/h8-9,12-16,19,21H,5-7,10-11,17-18H2,1-4H3,(H,31,34)/t21-/m1/s1
InChIKeyLXCHPRKOKLPDEV-OAQYLSRUSA-N
MW504.63 g/mol
LogP6.43
Rot. Bonds3

About methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate

methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (PubChem CID 53381223) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.

Molecular Properties

Compound Namemethyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
PubChem CID53381223
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC Namemethyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate
SMILESCOC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](NC(=O)OC(C)(C)C)COc1ccccc1-3
InChIInChI=1S/C30H36N2O5/c1-30(2,3)37-29(34)31-21-17-32-24-16-20(28(33)35-4)14-15-22(24)26(19-10-6-5-7-11-19)27(32)23-12-8-9-13-25(23)36-18-21/h8-9,12-16,19,21H,5-7,10-11,17-18H2,1-4H3,(H,31,34)/t21-/m1/s1
InChIKeyLXCHPRKOKLPDEV-OAQYLSRUSA-N
XLogP6.43
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?
The IUPAC name of methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate (CID 53381223) is methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate.
What is the SMILES notation for methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?
The canonical SMILES for methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H](NC(=O)OC(C)(C)C)COc1ccccc1-3.
What is the InChIKey of methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?
The InChIKey is LXCHPRKOKLPDEV-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-30(2,3)37-29(34)31-21-17-32-24-16-20(28(33)35-4)14-15-22(24)26(19-10-6-5-7-11-19)27(32)23-12-8-9-13-25(23)36-18-21/h8-9,12-16,19,21H,5-7,10-11,17-18H2,1-4H3,(H,31,34)/t21-/m1/s1.
What are the key properties of methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate?
methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate has a molecular weight of 504.63 g/mol, XLogP of 6.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R)-19-cyclohexyl-10-[(2-methylpropan-2-yl)oxycarbonylamino]-8-oxa-12-azatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13(18),14,16-heptaene-15-carboxylate is sourced from PubChem (CID 53381223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).