3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide

C18H24N4O3 — CID 91839928

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NCCN1CCCOC1=O
InChIInChI=1S/C18H24N4O3/c1-2-16-20-14-6-3-4-7-15(14)22(16)11-8-17(23)19-9-12-21-10-5-13-25-18(21)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23)
InChIKeyCNDGXBWGVMLIRN-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.95
Rot. Bonds7

About 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide (PubChem CID 91839928) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
PubChem CID91839928
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NCCN1CCCOC1=O
InChIInChI=1S/C18H24N4O3/c1-2-16-20-14-6-3-4-7-15(14)22(16)11-8-17(23)19-9-12-21-10-5-13-25-18(21)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23)
InChIKeyCNDGXBWGVMLIRN-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide (CID 91839928) is 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide is CCc1nc2ccccc2n1CCC(=O)NCCN1CCCOC1=O.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
The InChIKey is CNDGXBWGVMLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-16-20-14-6-3-4-7-15(14)22(16)11-8-17(23)19-9-12-21-10-5-13-25-18(21)24/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanamide is sourced from PubChem (CID 91839928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).