2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide

C10H16N4O3 — CID 136951350

IUPAC2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N=C1NC(=O)C(=O)N1
InChIInChI=1S/C10H16N4O3/c1-5(2)4-11-7(15)6(3)12-10-13-8(16)9(17)14-10/h5-6H,4H2,1-3H3,(H,11,15)(H2,12,13,14,16,17)
InChIKeySRINGLVPIMDPGO-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.25
Rot. Bonds4

About 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide

2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide (PubChem CID 136951350) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide
PubChem CID136951350
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)N=C1NC(=O)C(=O)N1
InChIInChI=1S/C10H16N4O3/c1-5(2)4-11-7(15)6(3)12-10-13-8(16)9(17)14-10/h5-6H,4H2,1-3H3,(H,11,15)(H2,12,13,14,16,17)
InChIKeySRINGLVPIMDPGO-UHFFFAOYSA-N
XLogP-1.25
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 164555835
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-(2-methylpropyl)acetamide
CID 136748256
2,3-dibromo-N-(2-methylpropyl)propanamide
CID 21396704
3-methyl-4-(2-methylpropylamino)-4-oxobutanoic acid
CID 58719925
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 124561221
2-(3-methylazetidin-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 83066067
N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 123418828
2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
2-[2-hydroxyethyl(methyl)amino]-N-(2-methylpropyl)propanamide
CID 60683962

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide (CID 136951350) is 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)N=C1NC(=O)C(=O)N1.
What is the InChIKey of 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is SRINGLVPIMDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(2)4-11-7(15)6(3)12-10-13-8(16)9(17)14-10/h5-6H,4H2,1-3H3,(H,11,15)(H2,12,13,14,16,17).
What are the key properties of 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide?
2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 240.26 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dioxoimidazolidin-2-ylidene)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 136951350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).