N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide

C20H22N4O3 — CID 108510594

IUPACN-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O3/c1-4-27-18-8-5-12(2)9-15(18)13(3)23-19(25)20(26)24-14-6-7-16-17(10-14)22-11-21-16/h5-11,13H,4H2,1-3H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyJDDGXVIZXVLUFK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.09
Rot. Bonds5

About N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide

N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide (PubChem CID 108510594) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
PubChem CID108510594
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O3/c1-4-27-18-8-5-12(2)9-15(18)13(3)23-19(25)20(26)24-14-6-7-16-17(10-14)22-11-21-16/h5-11,13H,4H2,1-3H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyJDDGXVIZXVLUFK-UHFFFAOYSA-N
XLogP3.09
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(4-nitrophenyl)oxamide
CID 108510472
N-(3-acetamidophenyl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide
CID 108510568
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-pyrimidin-2-yloxamide
CID 108510519
N-(3H-benzimidazol-5-yl)-2-(2,4-dimethylphenoxy)butanamide
CID 23383026
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
N-[1-(2-ethoxy-5-methylphenyl)ethyl]-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108510678
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
N-(3H-benzimidazol-5-yl)-N',N'-bis(2-methylpropyl)oxamide
CID 108529252
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
N'-[1-(2-ethoxy-5-methylphenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 108510554
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide (CID 108510594) is N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide is CCOc1ccc(C)cc1C(C)NC(=O)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
The InChIKey is JDDGXVIZXVLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-27-18-8-5-12(2)9-15(18)13(3)23-19(25)20(26)24-14-6-7-16-17(10-14)22-11-21-16/h5-11,13H,4H2,1-3H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide?
N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide has a molecular weight of 366.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-N'-[1-(2-ethoxy-5-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 108510594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).