N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide

C24H27N3O3 — CID 172505752

IUPACN-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccccc1C(c1cccc(NC(=O)CC2CCOCC2)c1)c1cnc[nH]1
InChIInChI=1S/C24H27N3O3/c1-29-22-8-3-2-7-20(22)24(21-15-25-16-26-21)18-5-4-6-19(14-18)27-23(28)13-17-9-11-30-12-10-17/h2-8,14-17,24H,9-13H2,1H3,(H,25,26)(H,27,28)
InChIKeyAJOSFPUOKBVOJG-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.35
Rot. Bonds7

About N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide

N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 172505752) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID172505752
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccccc1C(c1cccc(NC(=O)CC2CCOCC2)c1)c1cnc[nH]1
InChIInChI=1S/C24H27N3O3/c1-29-22-8-3-2-7-20(22)24(21-15-25-16-26-21)18-5-4-6-19(14-18)27-23(28)13-17-9-11-30-12-10-17/h2-8,14-17,24H,9-13H2,1H3,(H,25,26)(H,27,28)
InChIKeyAJOSFPUOKBVOJG-UHFFFAOYSA-N
XLogP4.35
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide 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

1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
CID 172505495
N-[3-fluoro-4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-(oxan-4-yl)acetamide
CID 52934396
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
N-[4-methoxy-3-(quinolin-2-ylmethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 86964994
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
CID 119351700
2-(oxan-4-yl)-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]acetamide
CID 124565645
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(1-methoxyethyl)phenyl]acetamide
CID 119768546
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-1-(oxan-2-yl)methanesulfonamide
CID 172505832
N-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-(oxan-4-yl)acetamide
CID 169307783
N-[3-(1H-imidazol-5-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 110668610

Frequently Asked Questions

What is the IUPAC name of N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide (CID 172505752) is N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide is COc1ccccc1C(c1cccc(NC(=O)CC2CCOCC2)c1)c1cnc[nH]1.
What is the InChIKey of N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is AJOSFPUOKBVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-22-8-3-2-7-20(22)24(21-15-25-16-26-21)18-5-4-6-19(14-18)27-23(28)13-17-9-11-30-12-10-17/h2-8,14-17,24H,9-13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide?
N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1H-imidazol-5-yl-(2-methoxyphenyl)methyl]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 172505752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).