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

C18H18N2O3 — CID 110790987

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc3ncoc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-13-3-2-4-15(9-13)22-11-18(21)19-8-7-14-5-6-16-17(10-14)23-12-20-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21)
InChIKeyKQRULQKWRSLUJU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.87
Rot. Bonds6

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

N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 110790987) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID110790987
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc3ncoc3c2)c1
InChIInChI=1S/C18H18N2O3/c1-13-3-2-4-15(9-13)22-11-18(21)19-8-7-14-5-6-16-17(10-14)23-12-20-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21)
InChIKeyKQRULQKWRSLUJU-UHFFFAOYSA-N
XLogP2.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[2-(1,3-benzoxazol-6-yl)ethyl]carbamate
CID 110790963
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
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
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide (CID 110790987) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCCc2ccc3ncoc3c2)c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is KQRULQKWRSLUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-3-2-4-15(9-13)22-11-18(21)19-8-7-14-5-6-16-17(10-14)23-12-20-16/h2-6,9-10,12H,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.87, 6 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 110790987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).