methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate

C23H36N2O5 — CID 131720950

IUPACmethyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCNC[C@H](C)COc1cccc2c1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)CC2
InChIInChI=1S/C23H36N2O5/c1-7-24-14-16(2)15-29-19-10-8-9-17-11-12-23(13-18(17)19,20(26)28-6)25-21(27)30-22(3,4)5/h8-10,16,24H,7,11-15H2,1-6H3,(H,25,27)/t16-,23+/m0/s1
InChIKeyWNJPXSBWHKKSPL-QMHKHESXSA-N
MW420.55 g/mol
LogP3.24
Rot. Bonds8

About methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate

methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 131720950) has the molecular formula C23H36N2O5 and a molecular weight of 420.55 g/mol. Its IUPAC name is methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
PubChem CID131720950
Molecular FormulaC23H36N2O5
Molecular Weight420.55 g/mol
Exact Mass420.26
IUPAC Namemethyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate
SMILESCCNC[C@H](C)COc1cccc2c1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)CC2
InChIInChI=1S/C23H36N2O5/c1-7-24-14-16(2)15-29-19-10-8-9-17-11-12-23(13-18(17)19,20(26)28-6)25-21(27)30-22(3,4)5/h8-10,16,24H,7,11-15H2,1-6H3,(H,25,27)/t16-,23+/m0/s1
InChIKeyWNJPXSBWHKKSPL-QMHKHESXSA-N
XLogP3.24
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate (CID 131720950) is methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate is CCNC[C@H](C)COc1cccc2c1C[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)CC2.
What is the InChIKey of methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is WNJPXSBWHKKSPL-QMHKHESXSA-N. The full InChI is InChI=1S/C23H36N2O5/c1-7-24-14-16(2)15-29-19-10-8-9-17-11-12-23(13-18(17)19,20(26)28-6)25-21(27)30-22(3,4)5/h8-10,16,24H,7,11-15H2,1-6H3,(H,25,27)/t16-,23+/m0/s1.
What are the key properties of methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate?
methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 420.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-8-[(2S)-3-(ethylamino)-2-methylpropoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 131720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).