2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

C18H18N2O4 — CID 110665357

IUPAC2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O4/c1-12-4-2-3-5-15(12)23-11-17(21)19-9-8-13-6-7-16-14(10-13)20-18(22)24-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGDZMQJGMPFXVIO-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.17
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide

2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (PubChem CID 110665357) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
PubChem CID110665357
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O4/c1-12-4-2-3-5-15(12)23-11-17(21)19-9-8-13-6-7-16-14(10-13)20-18(22)24-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyGDZMQJGMPFXVIO-UHFFFAOYSA-N
XLogP2.17
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propylpropanamide
CID 110390366
3-cyano-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115173971
4-fluoro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]benzamide
CID 110665296
N-(2-methoxyphenyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110390488
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopropanecarboxamide
CID 110665279
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
5-bromo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]furan-2-carboxamide
CID 110665271
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110665286

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide (CID 110665357) is 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is Cc1ccccc1OCC(=O)NCCc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
The InChIKey is GDZMQJGMPFXVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-4-2-3-5-15(12)23-11-17(21)19-9-8-13-6-7-16-14(10-13)20-18(22)24-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 110665357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).