4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one

C15H22N2O3 — CID 143803089

IUPAC4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C(C)N2CCC(CCO)NC2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-3-5-14(20-2)6-4-12)17-9-7-13(8-10-18)16-15(17)19/h3-6,11,13,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyGASZQYOYLJAEDT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds5

About 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one

4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one (PubChem CID 143803089) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
PubChem CID143803089
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
SMILESCOc1ccc(C(C)N2CCC(CCO)NC2=O)cc1
InChIInChI=1S/C15H22N2O3/c1-11(12-3-5-14(20-2)6-4-12)17-9-7-13(8-10-18)16-15(17)19/h3-6,11,13,18H,7-10H2,1-2H3,(H,16,19)
InChIKeyGASZQYOYLJAEDT-UHFFFAOYSA-N
XLogP1.92
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxymethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 163594189
N-methoxy-1-[(1S)-1-(4-methoxyphenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 144516346
1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79777955
(4S)-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one
CID 59627216
(3S)-3-(azidomethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 165384332
(4R)-4-(1-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134325581
1-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbaldehyde
CID 123749070
4-(1-hydroxypropyl)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 123475689
9-hydroxy-3-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996624
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716591
1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-one
CID 66242832
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one (CID 143803089) is 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one is COc1ccc(C(C)N2CCC(CCO)NC2=O)cc1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one?
The InChIKey is GASZQYOYLJAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(12-3-5-14(20-2)6-4-12)17-9-7-13(8-10-18)16-15(17)19/h3-6,11,13,18H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one?
4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[1-(4-methoxyphenyl)ethyl]-1,3-diazinan-2-one is sourced from PubChem (CID 143803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).