1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea

C14H20N2O2 — CID 108879533

IUPAC1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
SMILESC=CCNC(=O)NCOc1ccc(CCC)cc1
InChIInChI=1S/C14H20N2O2/c1-3-5-12-6-8-13(9-7-12)18-11-16-14(17)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H2,15,16,17)
InChIKeySWOABLGLOQFFKI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.46
Rot. Bonds7

About 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea

1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea (PubChem CID 108879533) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
PubChem CID108879533
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea
SMILESC=CCNC(=O)NCOc1ccc(CCC)cc1
InChIInChI=1S/C14H20N2O2/c1-3-5-12-6-8-13(9-7-12)18-11-16-14(17)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H2,15,16,17)
InChIKeySWOABLGLOQFFKI-UHFFFAOYSA-N
XLogP2.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
1-(2,2-diethoxyethyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879692
1-(4-cyanophenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879472
1-[(3-methylphenyl)methyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879664
1-butyl-1-methyl-3-[(4-propylphenoxy)methyl]urea
CID 108879554
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-(3-methylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879448
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
1-[(4-ethoxyphenoxy)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108890945
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879544

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea (CID 108879533) is 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea is C=CCNC(=O)NCOc1ccc(CCC)cc1.
What is the InChIKey of 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea?
The InChIKey is SWOABLGLOQFFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-5-12-6-8-13(9-7-12)18-11-16-14(17)15-10-4-2/h4,6-9H,2-3,5,10-11H2,1H3,(H2,15,16,17).
What are the key properties of 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea?
1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea has a molecular weight of 248.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[(4-propylphenoxy)methyl]urea is sourced from PubChem (CID 108879533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).