3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide

C21H29N3O6 — CID 124906590

IUPAC3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)NCC3CCOCC3)C2=O)cc1OC
InChIInChI=1S/C21H29N3O6/c1-28-17-5-3-15(11-18(17)29-2)13-24-20(26)16(23-21(24)27)4-6-19(25)22-12-14-7-9-30-10-8-14/h3,5,11,14,16H,4,6-10,12-13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyPTNSWONUITZOHD-MRXNPFEDSA-N
MW419.48 g/mol
LogP1.45
Rot. Bonds9

About 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide

3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide (PubChem CID 124906590) has the molecular formula C21H29N3O6 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
PubChem CID124906590
Molecular FormulaC21H29N3O6
Molecular Weight419.48 g/mol
Exact Mass419.21
IUPAC Name3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
SMILESCOc1ccc(CN2C(=O)N[C@H](CCC(=O)NCC3CCOCC3)C2=O)cc1OC
InChIInChI=1S/C21H29N3O6/c1-28-17-5-3-15(11-18(17)29-2)13-24-20(26)16(23-21(24)27)4-6-19(25)22-12-14-7-9-30-10-8-14/h3,5,11,14,16H,4,6-10,12-13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m1/s1
InChIKeyPTNSWONUITZOHD-MRXNPFEDSA-N
XLogP1.45
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.45
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-benzyl-3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 75491960
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91639452
3-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 110210455
3-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 99871365
3-[(4R)-1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide
CID 124862992
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
CID 75491516
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-6-yl)propanamide
CID 99871195
3-[(3,4-dimethoxyphenyl)methyl]-5-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 75532001
2-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methylpropyl)acetamide
CID 75490972
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 99870995
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide (CID 124906590) is 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide is COc1ccc(CN2C(=O)N[C@H](CCC(=O)NCC3CCOCC3)C2=O)cc1OC.
What is the InChIKey of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is PTNSWONUITZOHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O6/c1-28-17-5-3-15(11-18(17)29-2)13-24-20(26)16(23-21(24)27)4-6-19(25)22-12-14-7-9-30-10-8-14/h3,5,11,14,16H,4,6-10,12-13H2,1-2H3,(H,22,25)(H,23,27)/t16-/m1/s1.
What are the key properties of 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide?
3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 419.48 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 124906590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).