2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide

C20H28N2O3 — CID 70276790

IUPAC2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1nc2ccccc2o1)/C(=C\C(C)C)CC(C)C
InChIInChI=1S/C20H28N2O3/c1-6-22(16(11-14(2)3)12-15(4)5)19(23)13-24-20-21-17-9-7-8-10-18(17)25-20/h7-11,14-15H,6,12-13H2,1-5H3/b16-11-
InChIKeyLNIFIWLDCZXOAW-WJDWOHSUSA-N
MW344.46 g/mol
LogP4.64
Rot. Bonds8

About 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide

2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide (PubChem CID 70276790) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
PubChem CID70276790
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide
SMILESCCN(C(=O)COc1nc2ccccc2o1)/C(=C\C(C)C)CC(C)C
InChIInChI=1S/C20H28N2O3/c1-6-22(16(11-14(2)3)12-15(4)5)19(23)13-24-20-21-17-9-7-8-10-18(17)25-20/h7-11,14-15H,6,12-13H2,1-5H3/b16-11-
InChIKeyLNIFIWLDCZXOAW-WJDWOHSUSA-N
XLogP4.64
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide (CID 70276790) is 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide is CCN(C(=O)COc1nc2ccccc2o1)/C(=C\C(C)C)CC(C)C.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide?
The InChIKey is LNIFIWLDCZXOAW-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-6-22(16(11-14(2)3)12-15(4)5)19(23)13-24-20-21-17-9-7-8-10-18(17)25-20/h7-11,14-15H,6,12-13H2,1-5H3/b16-11-.
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide?
2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-N-[(Z)-2,6-dimethylhept-3-en-4-yl]-N-ethylacetamide is sourced from PubChem (CID 70276790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).