2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

C17H22N4O4 — CID 813823

IUPAC2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H22N4O4/c1-3-10-21(12-16(22)19-15-9-11-25-20-15)17(23)18-13-7-5-6-8-14(13)24-4-2/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyYIBMJPUHHFZGAM-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.96
Rot. Bonds8

About 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide

2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 813823) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID813823
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccccc1OCC
InChIInChI=1S/C17H22N4O4/c1-3-10-21(12-16(22)19-15-9-11-25-20-15)17(23)18-13-7-5-6-8-14(13)24-4-2/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,23)(H,19,20,22)
InChIKeyYIBMJPUHHFZGAM-UHFFFAOYSA-N
XLogP2.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3682537
2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769288
3-(1,2-oxazol-3-yl)-1,1-dipropylurea
CID 108811952
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-2,2-diphenyl-N-propylacetamide
CID 42769030
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propyltetradecanamide
CID 42664167
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706
2,6-dimethoxy-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide
CID 42770937
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
2-[ethylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 3628865
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
2-[benzylcarbamoyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769290
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide (CID 813823) is 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is CCCN(CC(=O)Nc1ccon1)C(=O)Nc1ccccc1OCC.
What is the InChIKey of 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is YIBMJPUHHFZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-3-10-21(12-16(22)19-15-9-11-25-20-15)17(23)18-13-7-5-6-8-14(13)24-4-2/h5-9,11H,3-4,10,12H2,1-2H3,(H,18,23)(H,19,20,22).
What are the key properties of 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide?
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 813823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).