1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea

C14H20N2O2 — CID 60577561

IUPAC1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)N(CC)CC)c1
InChIInChI=1S/C14H20N2O2/c1-4-10-18-13-9-7-8-12(11-13)15-14(17)16(5-2)6-3/h4,7-9,11H,1,5-6,10H2,2-3H3,(H,15,17)
InChIKeyWCGLHHLHNJPGNC-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.13
Rot. Bonds6

About 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea

1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 60577561) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
PubChem CID60577561
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)N(CC)CC)c1
InChIInChI=1S/C14H20N2O2/c1-4-10-18-13-9-7-8-12(11-13)15-14(17)16(5-2)6-3/h4,7-9,11H,1,5-6,10H2,2-3H3,(H,15,17)
InChIKeyWCGLHHLHNJPGNC-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
3-ethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086754
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
(2S)-2-amino-3-methyl-N-(3-prop-2-enoxyphenyl)butanamide
CID 39350922
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2,4-diethoxy-N-(3-prop-2-enoxyphenyl)benzamide
CID 17086764
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-prop-2-enoxyphenyl)urea
CID 109397009
4-amino-N-(3-prop-2-enoxyphenyl)pentanamide
CID 120561225
1-(1-hydroxy-2-methylpropan-2-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 111976896
N-(3-prop-2-enoxyphenyl)-2-propoxybenzamide
CID 17086740
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea (CID 60577561) is 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)N(CC)CC)c1.
What is the InChIKey of 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is WCGLHHLHNJPGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-10-18-13-9-7-8-12(11-13)15-14(17)16(5-2)6-3/h4,7-9,11H,1,5-6,10H2,2-3H3,(H,15,17).
What are the key properties of 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea?
1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 248.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 60577561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).