3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C21H22N4O4 — CID 55720079

IUPAC3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2cccc(N3CCNC3=O)c2)C1=O
InChIInChI=1S/C21H22N4O4/c1-14-20(27)25(17-7-2-3-8-18(17)29-14)11-9-19(26)23-15-5-4-6-16(13-15)24-12-10-22-21(24)28/h2-8,13-14H,9-12H2,1H3,(H,22,28)(H,23,26)
InChIKeyRIZAYGORSQPWDN-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 55720079) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID55720079
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCC1Oc2ccccc2N(CCC(=O)Nc2cccc(N3CCNC3=O)c2)C1=O
InChIInChI=1S/C21H22N4O4/c1-14-20(27)25(17-7-2-3-8-18(17)29-14)11-9-19(26)23-15-5-4-6-16(13-15)24-12-10-22-21(24)28/h2-8,13-14H,9-12H2,1H3,(H,22,28)(H,23,26)
InChIKeyRIZAYGORSQPWDN-UHFFFAOYSA-N
XLogP2.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 55720079) is 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is CC1Oc2ccccc2N(CCC(=O)Nc2cccc(N3CCNC3=O)c2)C1=O.
What is the InChIKey of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is RIZAYGORSQPWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-20(27)25(17-7-2-3-8-18(17)29-14)11-9-19(26)23-15-5-4-6-16(13-15)24-12-10-22-21(24)28/h2-8,13-14H,9-12H2,1H3,(H,22,28)(H,23,26).
What are the key properties of 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 394.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55720079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).