1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one

C16H24N2O2 — CID 101464584

IUPAC1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one
SMILESCC(CCCOCc1ccccc1)N1CCN(C)C1=O
InChIInChI=1S/C16H24N2O2/c1-14(18-11-10-17(2)16(18)19)7-6-12-20-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeySPLOKMYJUBXNRZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds7

About 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one

1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one (PubChem CID 101464584) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one
PubChem CID101464584
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one
SMILESCC(CCCOCc1ccccc1)N1CCN(C)C1=O
InChIInChI=1S/C16H24N2O2/c1-14(18-11-10-17(2)16(18)19)7-6-12-20-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeySPLOKMYJUBXNRZ-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003
(4-chloro-6-methylheptoxy)methylbenzene
CID 130537115
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
CID 11667246
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one (CID 101464584) is 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one is CC(CCCOCc1ccccc1)N1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one?
The InChIKey is SPLOKMYJUBXNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14(18-11-10-17(2)16(18)19)7-6-12-20-13-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one?
1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-phenylmethoxypentan-2-yl)imidazolidin-2-one is sourced from PubChem (CID 101464584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).