benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate

C23H19NO4 — CID 102471440

IUPACbenzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate
SMILESCC1=N[C@H]2O[C@@]13C(=O)c1ccccc1C(C)C3=C2C(=O)OCc1ccccc1
InChIInChI=1S/C23H19NO4/c1-13-16-10-6-7-11-17(16)20(25)23-14(2)24-21(28-23)18(19(13)23)22(26)27-12-15-8-4-3-5-9-15/h3-11,13,21H,12H2,1-2H3/t13?,21-,23-/m0/s1
InChIKeyBTTFEGJGSIWXBV-KJUYIIGUSA-N
MW373.41 g/mol
LogP3.60
Rot. Bonds3

About benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate

benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate (PubChem CID 102471440) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate.

Molecular Properties

Compound Namebenzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate
PubChem CID102471440
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Namebenzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate
SMILESCC1=N[C@H]2O[C@@]13C(=O)c1ccccc1C(C)C3=C2C(=O)OCc1ccccc1
InChIInChI=1S/C23H19NO4/c1-13-16-10-6-7-11-17(16)20(25)23-14(2)24-21(28-23)18(19(13)23)22(26)27-12-15-8-4-3-5-9-15/h3-11,13,21H,12H2,1-2H3/t13?,21-,23-/m0/s1
InChIKeyBTTFEGJGSIWXBV-KJUYIIGUSA-N
XLogP3.60
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate?
The IUPAC name of benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate (CID 102471440) is benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate.
What is the SMILES notation for benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate?
The canonical SMILES for benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate is CC1=N[C@H]2O[C@@]13C(=O)c1ccccc1C(C)C3=C2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate?
The InChIKey is BTTFEGJGSIWXBV-KJUYIIGUSA-N. The full InChI is InChI=1S/C23H19NO4/c1-13-16-10-6-7-11-17(16)20(25)23-14(2)24-21(28-23)18(19(13)23)22(26)27-12-15-8-4-3-5-9-15/h3-11,13,21H,12H2,1-2H3/t13?,21-,23-/m0/s1.
What are the key properties of benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate?
benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1R,12S)-9,14-dimethyl-2-oxo-15-oxa-13-azatetracyclo[10.2.1.01,10.03,8]pentadeca-3,5,7,10,13-pentaene-11-carboxylate is sourced from PubChem (CID 102471440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).