4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one

C13H25N3O2 — CID 146516058

IUPAC4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one
SMILESCCC1NC(=O)NC1(N)[C@H](C)CCCCC(C)=O
InChIInChI=1S/C13H25N3O2/c1-4-11-13(14,16-12(18)15-11)9(2)7-5-6-8-10(3)17/h9,11H,4-8,14H2,1-3H3,(H2,15,16,18)/t9-,11?,13?/m1/s1
InChIKeyIGJKGDQJDXNRPD-CBZQXFMTSA-N
MW255.36 g/mol
LogP1.52
Rot. Bonds7

About 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one

4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one (PubChem CID 146516058) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one
PubChem CID146516058
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one
SMILESCCC1NC(=O)NC1(N)[C@H](C)CCCCC(C)=O
InChIInChI=1S/C13H25N3O2/c1-4-11-13(14,16-12(18)15-11)9(2)7-5-6-8-10(3)17/h9,11H,4-8,14H2,1-3H3,(H2,15,16,18)/t9-,11?,13?/m1/s1
InChIKeyIGJKGDQJDXNRPD-CBZQXFMTSA-N
XLogP1.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Heptan-3-YL)imidazolidine-2,4-dione
CID 127263520
5-Hexan-2-ylimidazolidine-2,4-dione
CID 67782744
(4S,5R)-4-methyl-5-(6-oxooctyl)imidazolidin-2-one
CID 122174234
Sodium 5-heptan-3-ylimidazolidin-3-ide-2,4-dione
CID 135001720
(2R,12R,14R)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
CID 155931342
(2S,12S,14S)-2-butan-2-yl-14-methyl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
CID 155931343
(2R,12R,14S)-14-methyl-2-propan-2-yl-1,10,13-triazabicyclo[10.3.0]pentadecane-9,15-dione
CID 155931344
5-Cyclohexyl-3-methylimidazolidine-2,4-dione
CID 10219804
5-Cyclohexylmethylhydantoin
CID 11830357
5-Cyclooctylimidazolidine-2,4-dione
CID 19009303
5-Cyclooctyl-3-[[methyl(octadecyl)amino]methyl]imidazolidine-2,4-dione
CID 20350595
1-[(1S)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-propan-2-ylurea
CID 57846600

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one?
The IUPAC name of 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one (CID 146516058) is 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one.
What is the SMILES notation for 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one?
The canonical SMILES for 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one is CCC1NC(=O)NC1(N)[C@H](C)CCCCC(C)=O.
What is the InChIKey of 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one?
The InChIKey is IGJKGDQJDXNRPD-CBZQXFMTSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-11-13(14,16-12(18)15-11)9(2)7-5-6-8-10(3)17/h9,11H,4-8,14H2,1-3H3,(H2,15,16,18)/t9-,11?,13?/m1/s1.
What are the key properties of 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one?
4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-4-[(2R)-7-oxooctan-2-yl]imidazolidin-2-one is sourced from PubChem (CID 146516058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).