3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine

C20H28N2O2 — CID 143961246

IUPAC3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine
SMILESC=CC1=C(C=C)N(CCCN(CC)CCOC)c2ccccc2O1
InChIInChI=1S/C20H28N2O2/c1-5-17-19(6-2)24-20-12-9-8-11-18(20)22(17)14-10-13-21(7-3)15-16-23-4/h5-6,8-9,11-12H,1-2,7,10,13-16H2,3-4H3
InChIKeyXMCQQBFNESQGLC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.83
Rot. Bonds10

About 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine

3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine (PubChem CID 143961246) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine
PubChem CID143961246
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine
SMILESC=CC1=C(C=C)N(CCCN(CC)CCOC)c2ccccc2O1
InChIInChI=1S/C20H28N2O2/c1-5-17-19(6-2)24-20-12-9-8-11-18(20)22(17)14-10-13-21(7-3)15-16-23-4/h5-6,8-9,11-12H,1-2,7,10,13-16H2,3-4H3
InChIKeyXMCQQBFNESQGLC-UHFFFAOYSA-N
XLogP3.83
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine (CID 143961246) is 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine is C=CC1=C(C=C)N(CCCN(CC)CCOC)c2ccccc2O1.
What is the InChIKey of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is XMCQQBFNESQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-17-19(6-2)24-20-12-9-8-11-18(20)22(17)14-10-13-21(7-3)15-16-23-4/h5-6,8-9,11-12H,1-2,7,10,13-16H2,3-4H3.
What are the key properties of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine?
3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 328.46 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]-N-ethyl-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 143961246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).