N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide

C25H29N3O4 — CID 47056810

IUPACN-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide
SMILESCC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H29N3O4/c1-25(2)23(31)28(24(32)27-25)17-19-14-12-18(13-15-19)16-26-22(30)11-7-6-10-21(29)20-8-4-3-5-9-20/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyBDPLJUGCVGDQAC-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.58
Rot. Bonds10

About N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide

N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide (PubChem CID 47056810) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide.

Molecular Properties

Compound NameN-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide
PubChem CID47056810
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide
SMILESCC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C1=O
InChIInChI=1S/C25H29N3O4/c1-25(2)23(31)28(24(32)27-25)17-19-14-12-18(13-15-19)16-26-22(30)11-7-6-10-21(29)20-8-4-3-5-9-20/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyBDPLJUGCVGDQAC-UHFFFAOYSA-N
XLogP3.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide with MolForge

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Related Compounds

4-[[(5-oxo-5-phenylpentanoyl)amino]methyl]benzoic acid
CID 108796178
3-(3-but-3-ynyldiazirin-3-yl)-N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 166423134
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
3-[(4-benzoylphenyl)methyl]-1-bromo-5,5-dimethylimidazolidine-2,4-dione;3-[(4-benzoylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione;[4-(bromomethyl)phenyl]-phenylmethanone;5,5-dimethylimidazolidine-2,4-dione
CID 158425535
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46814950
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
2-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]hydrazinylidene]propanedinitrile
CID 169339198
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-4-phenylbutanamide
CID 55742680
N-[(3-chlorophenyl)methyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266322
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-phenylcyclopentyl)methyl]butanamide
CID 18128280

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide?
The IUPAC name of N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide (CID 47056810) is N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide.
What is the SMILES notation for N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide?
The canonical SMILES for N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide is CC1(C)NC(=O)N(Cc2ccc(CNC(=O)CCCCC(=O)c3ccccc3)cc2)C1=O.
What is the InChIKey of N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide?
The InChIKey is BDPLJUGCVGDQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-25(2)23(31)28(24(32)27-25)17-19-14-12-18(13-15-19)16-26-22(30)11-7-6-10-21(29)20-8-4-3-5-9-20/h3-5,8-9,12-15H,6-7,10-11,16-17H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide?
N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide has a molecular weight of 435.52 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]phenyl]methyl]-6-oxo-6-phenylhexanamide is sourced from PubChem (CID 47056810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).