N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H22N2O4 — CID 20949234

IUPACN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)CCN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-14(2)9-10-20(12-15-6-5-11-24-15)18(22)13-21-16-7-3-4-8-17(16)25-19(21)23/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyKOYINBNULFCJDW-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.26
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 20949234) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID20949234
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)CCN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-14(2)9-10-20(12-15-6-5-11-24-15)18(22)13-21-16-7-3-4-8-17(16)25-19(21)23/h3-8,11,14H,9-10,12-13H2,1-2H3
InChIKeyKOYINBNULFCJDW-UHFFFAOYSA-N
XLogP3.26
TPSA68.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 20949234) is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(C)CCN(Cc1ccco1)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is KOYINBNULFCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(2)9-10-20(12-15-6-5-11-24-15)18(22)13-21-16-7-3-4-8-17(16)25-19(21)23/h3-8,11,14H,9-10,12-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 342.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 20949234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).