1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one

C16H24N2O3 — CID 155170069

IUPAC1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
SMILESCCCCCOc1cc(N2CCCNC2=O)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-4-5-11-21-15-12-13(7-8-14(15)20-2)18-10-6-9-17-16(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,19)
InChIKeySOPPZSDDJXCVPG-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.18
Rot. Bonds7

About 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one

1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one (PubChem CID 155170069) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
PubChem CID155170069
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
SMILESCCCCCOc1cc(N2CCCNC2=O)ccc1OC
InChIInChI=1S/C16H24N2O3/c1-3-4-5-11-21-15-12-13(7-8-14(15)20-2)18-10-6-9-17-16(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,19)
InChIKeySOPPZSDDJXCVPG-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile
CID 155170068
1-[3-(3,4-diethoxyphenyl)phenyl]-1,3-diazinan-2-one
CID 154793714
2-[3-ethyl-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]acetic acid
CID 155704476
1-(3,4-dimethoxyphenyl)-1,4-diazepan-2-one
CID 82297454
methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate
CID 155169840
1-(3-methyl-4-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 68524434
1-[[1-(2-amino-2-methylpropyl)-3-chloropyrrolo[2,3-b]pyridin-4-yl]methyl]-3-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170024
[2-hydroxy-2-[3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]ethyl]carbamic acid
CID 155170041
4-methoxy-3-pentoxybenzamide
CID 82041442
4-(3,4-dioctoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 23393076
7-butoxy-8-methoxy-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 70849664

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one (CID 155170069) is 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one is CCCCCOc1cc(N2CCCNC2=O)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one?
The InChIKey is SOPPZSDDJXCVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-11-21-15-12-13(7-8-14(15)20-2)18-10-6-9-17-16(18)19/h7-8,12H,3-6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one?
1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 155170069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).