1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea

C15H22N2O3 — CID 71801594

IUPAC1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea
SMILESCN(CC1COCCO1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-17(11-14-12-19-9-10-20-14)15(18)16-8-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeySCOKLCUPRGDOCZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.29
Rot. Bonds5

About 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea

1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea (PubChem CID 71801594) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea
PubChem CID71801594
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea
SMILESCN(CC1COCCO1)C(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-17(11-14-12-19-9-10-20-14)15(18)16-8-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18)
InChIKeySCOKLCUPRGDOCZ-UHFFFAOYSA-N
XLogP1.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
1-(1,4-Dioxan-2-ylmethyl)-3-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea
CID 2902662
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-Benzyl-3-(2-(2-((cyclohexylmethyl)(ethyl)amino)ethoxy)ethyl)urea
CID 11726118
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
2-(morpholin-4-ylmethyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 124042352
1-(2-Morpholin-4-ylethyl)-3-(3-phenylpropyl)urea
CID 34702817
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 51124416

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea (CID 71801594) is 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea is CN(CC1COCCO1)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea?
The InChIKey is SCOKLCUPRGDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(11-14-12-19-9-10-20-14)15(18)16-8-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,16,18).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea?
1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea has a molecular weight of 278.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-1-methyl-3-(2-phenylethyl)urea is sourced from PubChem (CID 71801594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).