N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H22N2O5 — CID 5310273

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-7-14(13-18(17)26-2)9-11-21-19(23)10-12-22-15-5-3-4-6-16(15)27-20(22)24/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyZWJSBLZCEJULON-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 5310273) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID5310273
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCOc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-7-14(13-18(17)26-2)9-11-21-19(23)10-12-22-15-5-3-4-6-16(15)27-20(22)24/h3-8,13H,9-12H2,1-2H3,(H,21,23)
InChIKeyZWJSBLZCEJULON-UHFFFAOYSA-N
XLogP2.36
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 5310273) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is ZWJSBLZCEJULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-17-8-7-14(13-18(17)26-2)9-11-21-19(23)10-12-22-15-5-3-4-6-16(15)27-20(22)24/h3-8,13H,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 370.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 5310273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).