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

C20H28N4O5 — CID 75489147

IUPAC3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H28N4O5/c1-28-16-4-2-15(3-5-16)14-24-19(26)17(22-20(24)27)6-7-18(25)21-8-9-23-10-12-29-13-11-23/h2-5,17H,6-14H2,1H3,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyXKNRHCOWHHMLTI-KRWDZBQOSA-N
MW404.47 g/mol
LogP0.34
Rot. Bonds9

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

3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 75489147) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID75489147
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCN3CCOCC3)C2=O)cc1
InChIInChI=1S/C20H28N4O5/c1-28-16-4-2-15(3-5-16)14-24-19(26)17(22-20(24)27)6-7-18(25)21-8-9-23-10-12-29-13-11-23/h2-5,17H,6-14H2,1H3,(H,21,25)(H,22,27)/t17-/m0/s1
InChIKeyXKNRHCOWHHMLTI-KRWDZBQOSA-N
XLogP0.34
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75531975
N-[2-(4-hydroxyphenyl)ethyl]-3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638035
N-(2-indol-1-ylethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75356695
3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 51829659
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(2-hydroxyethyl)-3-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110210460
3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
N-[(3-methoxyphenyl)methyl]-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 73258308
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 163088959
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 51833849
2-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 99870686

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 75489147) is 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCN3CCOCC3)C2=O)cc1.
What is the InChIKey of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is XKNRHCOWHHMLTI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-28-16-4-2-15(3-5-16)14-24-19(26)17(22-20(24)27)6-7-18(25)21-8-9-23-10-12-29-13-11-23/h2-5,17H,6-14H2,1H3,(H,21,25)(H,22,27)/t17-/m0/s1.
What are the key properties of 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 75489147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).