2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide

C15H20N4O3 — CID 119292140

IUPAC2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C15H20N4O3/c1-8(2)11(16)12(20)17-10-6-4-5-9(7-10)15(3)13(21)18-14(22)19-15/h4-8,11H,16H2,1-3H3,(H,17,20)(H2,18,19,21,22)
InChIKeyMNLQMAMUNXMDHD-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.66
Rot. Bonds4

About 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide

2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide (PubChem CID 119292140) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
PubChem CID119292140
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide
SMILESCC(C)C(N)C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1
InChIInChI=1S/C15H20N4O3/c1-8(2)11(16)12(20)17-10-6-4-5-9(7-10)15(3)13(21)18-14(22)19-15/h4-8,11H,16H2,1-3H3,(H,17,20)(H2,18,19,21,22)
InChIKeyMNLQMAMUNXMDHD-UHFFFAOYSA-N
XLogP0.66
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide (CID 119292140) is 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide is CC(C)C(N)C(=O)Nc1cccc(C2(C)NC(=O)NC2=O)c1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
The InChIKey is MNLQMAMUNXMDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-8(2)11(16)12(20)17-10-6-4-5-9(7-10)15(3)13(21)18-14(22)19-15/h4-8,11H,16H2,1-3H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide?
2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide has a molecular weight of 304.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]butanamide is sourced from PubChem (CID 119292140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).