(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione

About (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione

(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione (PubChem CID 71176605) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione
PubChem CID	71176605
Molecular Formula	C21H23N3O4
Molecular Weight	381.43 g/mol
Exact Mass	381.17
IUPAC Name	(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione
SMILES	CCOc1ccc2c(c1)CN(C[C@@]1([C@H]3C=CC(C)=CC3)NC(=O)NC1=O)C2=O
InChI	InChI=1S/C21H23N3O4/c1-3-28-16-8-9-17-14(10-16)11-24(18(17)25)12-21(19(26)22-20(27)23-21)15-6-4-13(2)5-7-15/h4-6,8-10,15H,3,7,11-12H2,1-2H3,(H2,22,23,26,27)/t15-,21-/m0/s1
InChIKey	MYMLQCLLAGSYRX-BTYIYWSLSA-N
XLogP	2.14
TPSA	87.74 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione (CID 71176605) is (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione is CCOc1ccc2c(c1)CN(C[C@@]1([C@H]3C=CC(C)=CC3)NC(=O)NC1=O)C2=O.

What is the InChIKey of (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione?

The InChIKey is MYMLQCLLAGSYRX-BTYIYWSLSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-28-16-8-9-17-14(10-16)11-24(18(17)25)12-21(19(26)22-20(27)23-21)15-6-4-13(2)5-7-15/h4-6,8-10,15H,3,7,11-12H2,1-2H3,(H2,22,23,26,27)/t15-,21-/m0/s1.

What are the key properties of (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione?

(5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(6-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 71176605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).