N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide

C18H24N4O5 — CID 166452026

IUPACN'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CCCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H24N4O5/c1-21-12-17(25)22(18(21)26)10-4-3-5-15(23)19-20-16(24)11-13-6-8-14(27-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKNFFZOQWQKLGKW-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.45
Rot. Bonds8

About N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide

N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide (PubChem CID 166452026) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
PubChem CID166452026
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CCCCN2C(=O)CN(C)C2=O)cc1
InChIInChI=1S/C18H24N4O5/c1-21-12-17(25)22(18(21)26)10-4-3-5-15(23)19-20-16(24)11-13-6-8-14(27-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKNFFZOQWQKLGKW-UHFFFAOYSA-N
XLogP0.45
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 8777093
2-(4-methoxyphenyl)-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]acetohydrazide
CID 18284769
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061811
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]butanamide
CID 82725201
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
3-butyl-1-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 71375150
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N-cyano-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 79194682
(Z)-4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoic acid
CID 92957533

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide?
The IUPAC name of N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide (CID 166452026) is N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide.
What is the SMILES notation for N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide?
The canonical SMILES for N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide is COc1ccc(CC(=O)NNC(=O)CCCCN2C(=O)CN(C)C2=O)cc1.
What is the InChIKey of N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide?
The InChIKey is KNFFZOQWQKLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-21-12-17(25)22(18(21)26)10-4-3-5-15(23)19-20-16(24)11-13-6-8-14(27-2)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide?
N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide has a molecular weight of 376.41 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxyphenyl)acetyl]-5-(3-methyl-2,5-dioxoimidazolidin-1-yl)pentanehydrazide is sourced from PubChem (CID 166452026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).