2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one

C18H21NO2 — CID 167859052

IUPAC2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCCc2occc2C1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,15-7-4-3-5-8-15)17(20)19-11-6-9-16-14(13-19)10-12-21-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3
InChIKeyVEVUFAXTVOKBDR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.53
Rot. Bonds2

About 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one

2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one (PubChem CID 167859052) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
PubChem CID167859052
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCCc2occc2C1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-18(2,15-7-4-3-5-8-15)17(20)19-11-6-9-16-14(13-19)10-12-21-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3
InChIKeyVEVUFAXTVOKBDR-UHFFFAOYSA-N
XLogP3.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one?
The IUPAC name of 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one (CID 167859052) is 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one is CC(C)(C(=O)N1CCCc2occc2C1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one?
The InChIKey is VEVUFAXTVOKBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,15-7-4-3-5-8-15)17(20)19-11-6-9-16-14(13-19)10-12-21-16/h3-5,7-8,10,12H,6,9,11,13H2,1-2H3.
What are the key properties of 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one?
2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-1-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)propan-1-one is sourced from PubChem (CID 167859052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).