2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide

C18H24N4O4 — CID 4205625

IUPAC2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H24N4O4/c1-3-25-11-4-10-22(13-17(23)20-16-9-12-26-21-16)18(24)19-15-7-5-14(2)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyVJSJHUJYIJATHB-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.88
Rot. Bonds9

About 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide

2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 4205625) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID4205625
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H24N4O4/c1-3-25-11-4-10-22(13-17(23)20-16-9-12-26-21-16)18(24)19-15-7-5-14(2)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,19,24)(H,20,21,23)
InChIKeyVJSJHUJYIJATHB-UHFFFAOYSA-N
XLogP2.88
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethylphenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42771761
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 4138130
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]hexanamide
CID 4080850
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 42771710
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-4-phenylbenzamide
CID 4151736
N-(3-ethoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 3568028
N-(3-methoxypropyl)-4-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 42771623
2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4165943
N-(3-ethoxypropyl)-4-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3649649
2-[(3-chlorophenyl)carbamoyl-(3-ethoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4129176
2-[3-ethoxypropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 3637081
N-(3-methoxypropyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]heptanamide
CID 42771642

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide (CID 4205625) is 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide is CCOCCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is VJSJHUJYIJATHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-25-11-4-10-22(13-17(23)20-16-9-12-26-21-16)18(24)19-15-7-5-14(2)6-8-15/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,19,24)(H,20,21,23).
What are the key properties of 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4205625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).