N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H18N2O4 — CID 20949216

IUPACN-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4/c1-3-19(13-8-10-14(23-2)11-9-13)17(21)12-20-15-6-4-5-7-16(15)24-18(20)22/h4-11H,3,12H2,1-2H3
InChIKeyKDXZVPBKUUKGEK-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.66
Rot. Bonds5

About N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 20949216) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID20949216
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4/c1-3-19(13-8-10-14(23-2)11-9-13)17(21)12-20-15-6-4-5-7-16(15)24-18(20)22/h4-11H,3,12H2,1-2H3
InChIKeyKDXZVPBKUUKGEK-UHFFFAOYSA-N
XLogP2.66
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
CID 87020691
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401009
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
N-(4-methoxyphenyl)-4-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 8884332
N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 17005016
N-ethyl-N-phenyl-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 4660213
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 43962340
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55560577
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 4199629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 20949216) is N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCN(C(=O)Cn1c(=O)oc2ccccc21)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is KDXZVPBKUUKGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-19(13-8-10-14(23-2)11-9-13)17(21)12-20-15-6-4-5-7-16(15)24-18(20)22/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 20949216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).