1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea

C14H20N2O — CID 127510643

IUPAC1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C14H20N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h4,6-9,11H,1,5,10H2,2-3H3,(H2,15,16,17)
InChIKeyDMMGEKWZSOWYRX-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds5

About 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea

1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea (PubChem CID 127510643) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
PubChem CID127510643
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(C)c1ccc(CC)cc1
InChIInChI=1S/C14H20N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h4,6-9,11H,1,5,10H2,2-3H3,(H2,15,16,17)
InChIKeyDMMGEKWZSOWYRX-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
4-[[(1R)-1-(4-ethylphenyl)ethyl]carbamoylamino]butanamide
CID 94158544
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-[1-(4-ethylphenyl)ethyl]-3-[(E)-2-phenylethenyl]urea
CID 108903161
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea?
The IUPAC name of 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea (CID 127510643) is 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea?
The canonical SMILES for 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea is C=CCNC(=O)NC(C)c1ccc(CC)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea?
The InChIKey is DMMGEKWZSOWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-10-15-14(17)16-11(3)13-8-6-12(5-2)7-9-13/h4,6-9,11H,1,5,10H2,2-3H3,(H2,15,16,17).
What are the key properties of 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea?
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea has a molecular weight of 232.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea is sourced from PubChem (CID 127510643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).