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

C18H18N2O3 — CID 4139722

IUPACN-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-19(14-8-6-7-13(2)11-14)17(21)12-20-15-9-4-5-10-16(15)23-18(20)22/h4-11H,3,12H2,1-2H3
InChIKeyRCASIMAWMKPJNE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.96
Rot. Bonds4

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

N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 4139722) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID4139722
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)oc2ccccc21)c1cccc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-19(14-8-6-7-13(2)11-14)17(21)12-20-15-9-4-5-10-16(15)23-18(20)22/h4-11H,3,12H2,1-2H3
InChIKeyRCASIMAWMKPJNE-UHFFFAOYSA-N
XLogP2.96
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 4139722) is N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCN(C(=O)Cn1c(=O)oc2ccccc21)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RCASIMAWMKPJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-19(14-8-6-7-13(2)11-14)17(21)12-20-15-9-4-5-10-16(15)23-18(20)22/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 4139722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).