(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate

C23H35NO3 — CID 166888128

IUPAC(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate
SMILESCC1CC2(C)C(OC(=O)N(C)C)CCC2C2C(C)CC3=CC(=O)CCC3C12
InChIInChI=1S/C23H35NO3/c1-13-10-15-11-16(25)6-7-17(15)20-14(2)12-23(3)18(21(13)20)8-9-19(23)27-22(26)24(4)5/h11,13-14,17-21H,6-10,12H2,1-5H3
InChIKeyNODPNAQZLUQFHT-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.69
Rot. Bonds1

About (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate

(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate (PubChem CID 166888128) has the molecular formula C23H35NO3 and a molecular weight of 373.54 g/mol. Its IUPAC name is (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate
PubChem CID166888128
Molecular FormulaC23H35NO3
Molecular Weight373.54 g/mol
Exact Mass373.26
IUPAC Name(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate
SMILESCC1CC2(C)C(OC(=O)N(C)C)CCC2C2C(C)CC3=CC(=O)CCC3C12
InChIInChI=1S/C23H35NO3/c1-13-10-15-11-16(25)6-7-17(15)20-14(2)12-23(3)18(21(13)20)8-9-19(23)27-22(26)24(4)5/h11,13-14,17-21H,6-10,12H2,1-5H3
InChIKeyNODPNAQZLUQFHT-UHFFFAOYSA-N
XLogP4.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate?
The IUPAC name of (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate (CID 166888128) is (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate?
The canonical SMILES for (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate is CC1CC2(C)C(OC(=O)N(C)C)CCC2C2C(C)CC3=CC(=O)CCC3C12.
What is the InChIKey of (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate?
The InChIKey is NODPNAQZLUQFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO3/c1-13-10-15-11-16(25)6-7-17(15)20-14(2)12-23(3)18(21(13)20)8-9-19(23)27-22(26)24(4)5/h11,13-14,17-21H,6-10,12H2,1-5H3.
What are the key properties of (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate?
(7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate has a molecular weight of 373.54 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,11,13-trimethyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 166888128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).