2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H22Cl2N4O4 — CID 5101637

IUPAC2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O4/c1-3-27-9-5-8-24(11-16(25)22-15-10-12(2)28-23-15)18(26)21-14-7-4-6-13(19)17(14)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyHXBGZHMWAMXJCU-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.19
Rot. Bonds9

About 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 5101637) has the molecular formula C18H22Cl2N4O4 and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID5101637
Molecular FormulaC18H22Cl2N4O4
Molecular Weight429.30 g/mol
Exact Mass428.10
IUPAC Name2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H22Cl2N4O4/c1-3-27-9-5-8-24(11-16(25)22-15-10-12(2)28-23-15)18(26)21-14-7-4-6-13(19)17(14)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyHXBGZHMWAMXJCU-UHFFFAOYSA-N
XLogP4.19
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-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

2-[(2,3-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3561257
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
2-[(2,3-dichlorophenyl)carbamoyl-prop-2-enylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4183757
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768091
2-[(3,4-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769251
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
N-(2,3-dichlorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 38877263
ethyl 2-[[3-methoxypropyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]amino]acetate
CID 3475616
2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771761
2-[(2,3-dimethylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7297305
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4205625

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 5101637) is 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCOCCCN(CC(=O)Nc1cc(C)on1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HXBGZHMWAMXJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O4/c1-3-27-9-5-8-24(11-16(25)22-15-10-12(2)28-23-15)18(26)21-14-7-4-6-13(19)17(14)20/h4,6-7,10H,3,5,8-9,11H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 429.30 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 5101637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).