(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone

C23H27NO2 — CID 138473876

IUPAC(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(c4ccccc4)CC2C3)ccc1OC(C)C
InChIInChI=1S/C23H27NO2/c1-16(2)26-21-10-9-18(13-17(21)3)22(25)24-12-11-23(14-20(24)15-23)19-7-5-4-6-8-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3
InChIKeyDTGMPFUUFXGZSK-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.73
Rot. Bonds4

About (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone

(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone (PubChem CID 138473876) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
PubChem CID138473876
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(c4ccccc4)CC2C3)ccc1OC(C)C
InChIInChI=1S/C23H27NO2/c1-16(2)26-21-10-9-18(13-17(21)3)22(25)24-12-11-23(14-20(24)15-23)19-7-5-4-6-8-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3
InChIKeyDTGMPFUUFXGZSK-UHFFFAOYSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone 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

[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
CID 138473868
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 126741052
[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)phenyl]-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone
CID 138473824
(3-methyl-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473776
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
(1-methylcyclopropyl)-(3-methyl-4-propan-2-yloxyphenyl)methanone
CID 82289722
1-[4-(3-methyl-4-propan-2-yloxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110805532
2,2-dimethyl-1-[4-(3-methyl-4-propan-2-yloxybenzoyl)piperazin-1-yl]propan-1-one
CID 110801450
(3-fluoro-4-propan-2-yloxyphenyl)-(6-phenyl-3-azabicyclo[4.1.0]heptan-3-yl)methanone
CID 87055926
(3-methyl-4-propan-2-yloxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
CID 58551586
[4-(2-hydroxyethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158525654
1-(3-methyl-4-propan-2-yloxyphenyl)cyclobutane-1-carboxylic acid
CID 117373867

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone (CID 138473876) is (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone.
What is the SMILES notation for (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The canonical SMILES for (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone is Cc1cc(C(=O)N2CCC3(c4ccccc4)CC2C3)ccc1OC(C)C.
What is the InChIKey of (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
The InChIKey is DTGMPFUUFXGZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-16(2)26-21-10-9-18(13-17(21)3)22(25)24-12-11-23(14-20(24)15-23)19-7-5-4-6-8-19/h4-10,13,16,20H,11-12,14-15H2,1-3H3.
What are the key properties of (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone?
(3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone has a molecular weight of 349.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-propan-2-yloxyphenyl)-(5-phenyl-2-azabicyclo[3.1.1]heptan-2-yl)methanone is sourced from PubChem (CID 138473876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).