(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone

C24H37NO2 — CID 3627470

IUPAC(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone
SMILESCC(C)C1=CC2=CCC3C(C)(C(=O)N4CCOCC4)CCCC3(C)C2CC1
InChIInChI=1S/C24H37NO2/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(26)25-12-14-27-15-13-25/h7,16-17,20-21H,5-6,8-15H2,1-4H3
InChIKeyYCUFDBFCNDTJPZ-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.98
Rot. Bonds2

About (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone

(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone (PubChem CID 3627470) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone
PubChem CID3627470
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone
SMILESCC(C)C1=CC2=CCC3C(C)(C(=O)N4CCOCC4)CCCC3(C)C2CC1
InChIInChI=1S/C24H37NO2/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(26)25-12-14-27-15-13-25/h7,16-17,20-21H,5-6,8-15H2,1-4H3
InChIKeyYCUFDBFCNDTJPZ-UHFFFAOYSA-N
XLogP4.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone (CID 3627470) is (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone is CC(C)C1=CC2=CCC3C(C)(C(=O)N4CCOCC4)CCCC3(C)C2CC1.
What is the InChIKey of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone?
The InChIKey is YCUFDBFCNDTJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(26)25-12-14-27-15-13-25/h7,16-17,20-21H,5-6,8-15H2,1-4H3.
What are the key properties of (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone?
(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone has a molecular weight of 371.57 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3627470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).