cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

C24H28N2O2 — CID 3043604

IUPACcyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
SMILESCC[C@@]12C=C(C(=O)OCC3CC3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIInChI=1S/C24H28N2O2/c1-2-24-11-5-12-25-13-10-18-17-6-3-4-7-19(17)26(21(18)22(24)25)20(14-24)23(27)28-15-16-8-9-16/h3-4,6-7,14,16,22H,2,5,8-13,15H2,1H3/t22-,24+/m1/s1
InChIKeyIOAZCRHEIBXDFV-VWNXMTODSA-N
MW376.50 g/mol
LogP4.54
Rot. Bonds4

About cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate (PubChem CID 3043604) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
PubChem CID3043604
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Namecyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
SMILESCC[C@@]12C=C(C(=O)OCC3CC3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42
InChIInChI=1S/C24H28N2O2/c1-2-24-11-5-12-25-13-10-18-17-6-3-4-7-19(17)26(21(18)22(24)25)20(14-24)23(27)28-15-16-8-9-16/h3-4,6-7,14,16,22H,2,5,8-13,15H2,1H3/t22-,24+/m1/s1
InChIKeyIOAZCRHEIBXDFV-VWNXMTODSA-N
XLogP4.54
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate?
The IUPAC name of cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate (CID 3043604) is cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate.
What is the SMILES notation for cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate?
The canonical SMILES for cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate is CC[C@@]12C=C(C(=O)OCC3CC3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42.
What is the InChIKey of cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate?
The InChIKey is IOAZCRHEIBXDFV-VWNXMTODSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-2-24-11-5-12-25-13-10-18-17-6-3-4-7-19(17)26(21(18)22(24)25)20(14-24)23(27)28-15-16-8-9-16/h3-4,6-7,14,16,22H,2,5,8-13,15H2,1H3/t22-,24+/m1/s1.
What are the key properties of cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate?
cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate is sourced from PubChem (CID 3043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).