phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate

C26H29NO5 — CID 88982953

IUPACphenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate
SMILESCCCN(C(=O)Oc1ccccc1)[C@H]1Cc2ccc(OC)c3c2C2C(O3)C(OC)=CCC21
InChIInChI=1S/C26H29NO5/c1-4-14-27(26(28)31-17-8-6-5-7-9-17)19-15-16-10-12-20(29-2)24-22(16)23-18(19)11-13-21(30-3)25(23)32-24/h5-10,12-13,18-19,23,25H,4,11,14-15H2,1-3H3/t18?,19-,23?,25?/m0/s1
InChIKeyHIOIOXNNMPJSHN-LQRFBZCNSA-N
MW435.52 g/mol
LogP4.93
Rot. Bonds6

About phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate

phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate (PubChem CID 88982953) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate.

Molecular Properties

Compound Namephenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate
PubChem CID88982953
Molecular FormulaC26H29NO5
Molecular Weight435.52 g/mol
Exact Mass435.20
IUPAC Namephenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate
SMILESCCCN(C(=O)Oc1ccccc1)[C@H]1Cc2ccc(OC)c3c2C2C(O3)C(OC)=CCC21
InChIInChI=1S/C26H29NO5/c1-4-14-27(26(28)31-17-8-6-5-7-9-17)19-15-16-10-12-20(29-2)24-22(16)23-18(19)11-13-21(30-3)25(23)32-24/h5-10,12-13,18-19,23,25H,4,11,14-15H2,1-3H3/t18?,19-,23?,25?/m0/s1
InChIKeyHIOIOXNNMPJSHN-LQRFBZCNSA-N
XLogP4.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate?
The IUPAC name of phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate (CID 88982953) is phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate.
What is the SMILES notation for phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate?
The canonical SMILES for phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate is CCCN(C(=O)Oc1ccccc1)[C@H]1Cc2ccc(OC)c3c2C2C(O3)C(OC)=CCC21.
What is the InChIKey of phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate?
The InChIKey is HIOIOXNNMPJSHN-LQRFBZCNSA-N. The full InChI is InChI=1S/C26H29NO5/c1-4-14-27(26(28)31-17-8-6-5-7-9-17)19-15-16-10-12-20(29-2)24-22(16)23-18(19)11-13-21(30-3)25(23)32-24/h5-10,12-13,18-19,23,25H,4,11,14-15H2,1-3H3/t18?,19-,23?,25?/m0/s1.
What are the key properties of phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate?
phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate has a molecular weight of 435.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(6S)-2,11-dimethoxy-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-2,8(13),9,11-tetraen-6-yl]-N-propylcarbamate is sourced from PubChem (CID 88982953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).