3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

About 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 41062475) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name	3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID	41062475
Molecular Formula	C24H27N3O4
Molecular Weight	421.50 g/mol
Exact Mass	421.20
IUPAC Name	3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILES	COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1
InChI	InChI=1S/C24H27N3O4/c1-31-18-11-9-16(10-12-18)15-27-23(29)21(26-24(27)30)13-14-22(28)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-12,20-21H,4,6,8,13-15H2,1H3,(H,25,28)(H,26,30)/t20-,21+/m1/s1
InChIKey	LVUCDAAVEIRAKJ-RTWAWAEBSA-N
XLogP	3.09
TPSA	87.74 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	3.09
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 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 41062475) is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

What is the SMILES notation for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The canonical SMILES for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCc4ccccc43)C2=O)cc1.

What is the InChIKey of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

The InChIKey is LVUCDAAVEIRAKJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-31-18-11-9-16(10-12-18)15-27-23(29)21(26-24(27)30)13-14-22(28)25-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-12,20-21H,4,6,8,13-15H2,1H3,(H,25,28)(H,26,30)/t20-,21+/m1/s1.

What are the key properties of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 41062475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).