5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

C22H30N2O2 — CID 54588954

IUPAC5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1C(OCc2ccccc2)CCC2C3CCCN4CCCC(CN12)C34
InChIInChI=1S/C22H30N2O2/c25-22-20(26-15-16-6-2-1-3-7-16)11-10-19-18-9-5-13-23-12-4-8-17(21(18)23)14-24(19)22/h1-3,6-7,17-21H,4-5,8-15H2
InChIKeyMRQTXKABNXKQAH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.07
Rot. Bonds3

About 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (PubChem CID 54588954) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.

Molecular Properties

Compound Name5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
PubChem CID54588954
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
SMILESO=C1C(OCc2ccccc2)CCC2C3CCCN4CCCC(CN12)C34
InChIInChI=1S/C22H30N2O2/c25-22-20(26-15-16-6-2-1-3-7-16)11-10-19-18-9-5-13-23-12-4-8-17(21(18)23)14-24(19)22/h1-3,6-7,17-21H,4-5,8-15H2
InChIKeyMRQTXKABNXKQAH-UHFFFAOYSA-N
XLogP3.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]benzamide
CID 146395359
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
5-chloro-2-hydroxy-N-[(1R,2R,9S,17S)-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-5-yl]benzamide
CID 146395363
[(1R,2R,9S,17S)-5-hydroxy-6-oxo-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-4-yl] acetate
CID 53324127
(5S,6R,7R)-7-phenyl-5-phenylmethoxy-1-azabicyclo[4.2.0]octan-8-one
CID 102308620
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 134844763
(1R,7R,8R,9R,9aS)-7,8,9-tris(phenylmethoxy)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ol
CID 15287282
(1R,2R,5E,9S,17S)-5-[(4-fluorophenyl)methylidene]-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 70685860
4-[(5R,6R,9S,13S)-7-methyl-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-(2-phenylethyl)butanamide
CID 110195689
(3S)-1-[bis(trimethylsilyl)methyl]-3-phenylmethoxyazetidin-2-one
CID 102062905
(1S,2S,3R,9R,17S)-3-hydroxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 5318250
2-phenylmethoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 151767444

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The IUPAC name of 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one (CID 54588954) is 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one.
What is the SMILES notation for 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The canonical SMILES for 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is O=C1C(OCc2ccccc2)CCC2C3CCCN4CCCC(CN12)C34.
What is the InChIKey of 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
The InChIKey is MRQTXKABNXKQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-22-20(26-15-16-6-2-1-3-7-16)11-10-19-18-9-5-13-23-12-4-8-17(21(18)23)14-24(19)22/h1-3,6-7,17-21H,4-5,8-15H2.
What are the key properties of 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one?
5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one has a molecular weight of 354.49 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one is sourced from PubChem (CID 54588954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).