N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide

C24H28N4O3 — CID 47044298

IUPACN-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NC(c1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C24H28N4O3/c1-5-16-9-7-10-17(6-2)20(16)26-23(29)24(30)27-21(22-25-13-14-28(22)3)18-11-8-12-19(15-18)31-4/h7-15,21H,5-6H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQJWSJFLBUGDTCG-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.40
Rot. Bonds7

About N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide

N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide (PubChem CID 47044298) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
PubChem CID47044298
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NC(c1cccc(OC)c1)c1nccn1C
InChIInChI=1S/C24H28N4O3/c1-5-16-9-7-10-17(6-2)20(16)26-23(29)24(30)27-21(22-25-13-14-28(22)3)18-11-8-12-19(15-18)31-4/h7-15,21H,5-6H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyQJWSJFLBUGDTCG-UHFFFAOYSA-N
XLogP3.40
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide 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

N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
1-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 41022660
1-(2,4-difluorophenyl)-3-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390772
2-(2-chloro-6-fluorophenyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40797865
1-(2,4-difluorophenyl)-3-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25390771
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 51269183
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylcyclopropane-1-carboxamide
CID 51269204
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943311

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide?
The IUPAC name of N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide (CID 47044298) is N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NC(c1cccc(OC)c1)c1nccn1C.
What is the InChIKey of N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide?
The InChIKey is QJWSJFLBUGDTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-16-9-7-10-17(6-2)20(16)26-23(29)24(30)27-21(22-25-13-14-28(22)3)18-11-8-12-19(15-18)31-4/h7-15,21H,5-6H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide?
N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide has a molecular weight of 420.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-N'-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxamide is sourced from PubChem (CID 47044298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).