N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide

C22H24N4O5 — CID 91638918

IUPACN-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-14(27)23-16-8-10-19(31-2)18(12-16)24-20(28)11-9-17-21(29)26(22(30)25-17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,9,11,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,30)/t17-/m0/s1
InChIKeyZEPBLMLIHCJUBZ-KRWDZBQOSA-N
MW424.46 g/mol
LogP2.49
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide

N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 91638918) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID91638918
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N4O5/c1-14(27)23-16-8-10-19(31-2)18(12-16)24-20(28)11-9-17-21(29)26(22(30)25-17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,9,11,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,30)/t17-/m0/s1
InChIKeyZEPBLMLIHCJUBZ-KRWDZBQOSA-N
XLogP2.49
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
N-(2-ethylphenyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51842022
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
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-[1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1H-indol-4-yl)propanamide
CID 75531635
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51829737
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-acetamido-2-methoxyphenyl)propanamide
CID 2641877
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide (CID 91638918) is N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide is COc1ccc(NC(C)=O)cc1NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is ZEPBLMLIHCJUBZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-14(27)23-16-8-10-19(31-2)18(12-16)24-20(28)11-9-17-21(29)26(22(30)25-17)13-15-6-4-3-5-7-15/h3-8,10,12,17H,9,11,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,30)/t17-/m0/s1.
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide?
N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 424.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 91638918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).