5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione

C23H45N3O2 — CID 70594895

IUPAC5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione
SMILESCCCCCCCCCC1(C)NC(=O)N(CNC(C)CCCCCCC)C1=O
InChIInChI=1S/C23H45N3O2/c1-5-7-9-11-12-14-16-18-23(4)21(27)26(22(28)25-23)19-24-20(3)17-15-13-10-8-6-2/h20,24H,5-19H2,1-4H3,(H,25,28)
InChIKeyKTXYMSJQBRYXTI-UHFFFAOYSA-N
MW395.63 g/mol
LogP5.73
Rot. Bonds17

About 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione

5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione (PubChem CID 70594895) has the molecular formula C23H45N3O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione
PubChem CID70594895
Molecular FormulaC23H45N3O2
Molecular Weight395.63 g/mol
Exact Mass395.35
IUPAC Name5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione
SMILESCCCCCCCCCC1(C)NC(=O)N(CNC(C)CCCCCCC)C1=O
InChIInChI=1S/C23H45N3O2/c1-5-7-9-11-12-14-16-18-23(4)21(27)26(22(28)25-23)19-24-20(3)17-15-13-10-8-6-2/h20,24H,5-19H2,1-4H3,(H,25,28)
InChIKeyKTXYMSJQBRYXTI-UHFFFAOYSA-N
XLogP5.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 102604049
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24605788
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
1-ethyl-2-[3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111782092
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
CID 62022872
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 3899651
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487157
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
N-(2-ethyl-6-methylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964419

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione (CID 70594895) is 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione is CCCCCCCCCC1(C)NC(=O)N(CNC(C)CCCCCCC)C1=O.
What is the InChIKey of 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione?
The InChIKey is KTXYMSJQBRYXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N3O2/c1-5-7-9-11-12-14-16-18-23(4)21(27)26(22(28)25-23)19-24-20(3)17-15-13-10-8-6-2/h20,24H,5-19H2,1-4H3,(H,25,28).
What are the key properties of 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione?
5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione has a molecular weight of 395.63 g/mol, XLogP of 5.73, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(nonan-2-ylamino)methyl]-5-nonylimidazolidine-2,4-dione is sourced from PubChem (CID 70594895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).