N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide

C18H17N3O4 — CID 110796279

IUPACN-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H17N3O4/c22-16(11-20-17(23)13-4-2-1-3-5-13)19-9-8-12-6-7-14-15(10-12)25-18(24)21-14/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyFZFZWLPLEIPYAD-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.21
Rot. Bonds6

About N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide

N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide (PubChem CID 110796279) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
PubChem CID110796279
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NCCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C18H17N3O4/c22-16(11-20-17(23)13-4-2-1-3-5-13)19-9-8-12-6-7-14-15(10-12)25-18(24)21-14/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)(H,21,24)
InChIKeyFZFZWLPLEIPYAD-UHFFFAOYSA-N
XLogP1.21
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792059
2-methyl-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110792023
2-hydroxy-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 115140966
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
2-(ethylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115158063
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
4-bromo-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]benzamide
CID 110786482
2-chloro-6-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792066
2-methyl-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]propanoic acid
CID 115128107
2-(ethylamino)-N-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115157922
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide (CID 110796279) is N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)NCCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide?
The InChIKey is FZFZWLPLEIPYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-16(11-20-17(23)13-4-2-1-3-5-13)19-9-8-12-6-7-14-15(10-12)25-18(24)21-14/h1-7,10H,8-9,11H2,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide?
N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethylamino]ethyl]benzamide is sourced from PubChem (CID 110796279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).