N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C14H17N3O3 — CID 51639717

IUPACN-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-9-4-6-11(7-5-9)17-10(2)13(19)16(14(17)20)8-12(18)15-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyJRMVMBWWCGMSBR-JTQLQIEISA-N
MW275.31 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 51639717) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID51639717
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCNC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-9-4-6-11(7-5-9)17-10(2)13(19)16(14(17)20)8-12(18)15-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyJRMVMBWWCGMSBR-JTQLQIEISA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 51639717) is N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CNC(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JRMVMBWWCGMSBR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-4-6-11(7-5-9)17-10(2)13(19)16(14(17)20)8-12(18)15-3/h4-7,10H,8H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 51639717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).