N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide

C20H23N3O3 — CID 110666646

IUPACN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C20H23N3O3/c24-19(8-4-15-26-18-6-2-1-3-7-18)22-16-9-11-17(12-10-16)23-14-5-13-21-20(23)25/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,25)(H,22,24)
InChIKeyORLYJQFJVHSABA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.40
Rot. Bonds7

About N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide (PubChem CID 110666646) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
PubChem CID110666646
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C20H23N3O3/c24-19(8-4-15-26-18-6-2-1-3-7-18)22-16-9-11-17(12-10-16)23-14-5-13-21-20(23)25/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,25)(H,22,24)
InChIKeyORLYJQFJVHSABA-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]propanamide
CID 110666666
benzyl N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]carbamate
CID 110666721
2-(2-methoxyphenyl)-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666745
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 110666665
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
CID 110637540
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-4-phenoxybutanamide
CID 110288064
2-amino-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 43709823
4-phenoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 38779444
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide (CID 110666646) is N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide?
The InChIKey is ORLYJQFJVHSABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(8-4-15-26-18-6-2-1-3-7-18)22-16-9-11-17(12-10-16)23-14-5-13-21-20(23)25/h1-3,6-7,9-12H,4-5,8,13-15H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide?
N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide has a molecular weight of 353.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 110666646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).