N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide

C28H37N3O3 — CID 22911269

IUPACN-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C28H37N3O3/c1-4-5-6-7-8-13-27(32)30-28-22(2)11-9-12-26(28)34-19-10-18-31-20-25(29-21-31)23-14-16-24(33-3)17-15-23/h9,11-12,14-17,20-21H,4-8,10,13,18-19H2,1-3H3,(H,30,32)
InChIKeyYEZPIEOCOJMHKV-UHFFFAOYSA-N
MW463.62 g/mol
LogP6.64
Rot. Bonds14

About N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide

N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide (PubChem CID 22911269) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide.

Molecular Properties

Compound NameN-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide
PubChem CID22911269
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide
SMILESCCCCCCCC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(OC)cc2)c1
InChIInChI=1S/C28H37N3O3/c1-4-5-6-7-8-13-27(32)30-28-22(2)11-9-12-26(28)34-19-10-18-31-20-25(29-21-31)23-14-16-24(33-3)17-15-23/h9,11-12,14-17,20-21H,4-8,10,13,18-19H2,1-3H3,(H,30,32)
InChIKeyYEZPIEOCOJMHKV-UHFFFAOYSA-N
XLogP6.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide 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-butyl-1-methyl-3-[2-methyl-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]urea
CID 22911248
1-[2-[3-[4-(3-aminophenyl)imidazol-1-yl]propoxy]-6-methylphenyl]-3-pentylurea
CID 11743702
3-[2-(dimethylamino)-6-[3-(4-phenylimidazol-1-yl)propoxy]phenyl]-1-methyl-1-pentylurea
CID 10095943
methyl 3-[1-[3-[2-(butylcarbamoylamino)-3-methylphenoxy]propyl]imidazol-4-yl]propanoate
CID 22911277
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-6-nitrophenyl)butanamide
CID 16885159
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N-[1-ethyl-3-(4-methoxyphenyl)-4-oxoquinolin-2-yl]hexanamide
CID 7678824

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide?
The IUPAC name of N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide (CID 22911269) is N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide.
What is the SMILES notation for N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide?
The canonical SMILES for N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide is CCCCCCCC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccc(OC)cc2)c1.
What is the InChIKey of N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide?
The InChIKey is YEZPIEOCOJMHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-4-5-6-7-8-13-27(32)30-28-22(2)11-9-12-26(28)34-19-10-18-31-20-25(29-21-31)23-14-16-24(33-3)17-15-23/h9,11-12,14-17,20-21H,4-8,10,13,18-19H2,1-3H3,(H,30,32).
What are the key properties of N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide?
N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide has a molecular weight of 463.62 g/mol, XLogP of 6.64, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(4-methoxyphenyl)imidazol-1-yl]propoxy]-6-methylphenyl]octanamide is sourced from PubChem (CID 22911269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).