N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide

C19H20N2O3 — CID 110796037

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-23-16-6-3-14(4-7-16)12-19(22)20-10-9-15-5-8-17-18(11-15)24-13-21-17/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyXQZQEDWENBAWBV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide (PubChem CID 110796037) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
PubChem CID110796037
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1
InChIInChI=1S/C19H20N2O3/c1-2-23-16-6-3-14(4-7-16)12-19(22)20-10-9-15-5-8-17-18(11-15)24-13-21-17/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,22)
InChIKeyXQZQEDWENBAWBV-UHFFFAOYSA-N
XLogP3.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
CID 110790910
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439
phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
CID 110790963
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide (CID 110796037) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCCc2ccc3ncoc3c2)cc1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
The InChIKey is XQZQEDWENBAWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-23-16-6-3-14(4-7-16)12-19(22)20-10-9-15-5-8-17-18(11-15)24-13-21-17/h3-8,11,13H,2,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 110796037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).