1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea

C16H25N3O2 — CID 71917488

IUPAC1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C16H25N3O2/c1-5-19(4)15-9-7-6-8-14(15)18-16(20)17-10-11-21-12-13(2)3/h6-9H,2,5,10-12H2,1,3-4H3,(H2,17,18,20)
InChIKeyYXUUVKDKWMJLNE-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.86
Rot. Bonds8

About 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea

1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea (PubChem CID 71917488) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
PubChem CID71917488
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
SMILESC=C(C)COCCNC(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C16H25N3O2/c1-5-19(4)15-9-7-6-8-14(15)18-16(20)17-10-11-21-12-13(2)3/h6-9H,2,5,10-12H2,1,3-4H3,(H2,17,18,20)
InChIKeyYXUUVKDKWMJLNE-UHFFFAOYSA-N
XLogP2.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
1-[2-[ethyl(methyl)amino]phenyl]-3-(3-hydroxybutyl)urea
CID 111336974
1-[2-[ethyl(methyl)amino]phenyl]-3-[[(1R,2R)-2-hydroxycyclopentyl]methyl]urea
CID 129422140
5-chloro-2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469348
3-chloro-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469438
3-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469487
1-(3,5-dichlorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 103769234
1-[2-[ethyl(methyl)amino]phenyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111474827
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443346

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The IUPAC name of 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea (CID 71917488) is 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea is C=C(C)COCCNC(=O)Nc1ccccc1N(C)CC.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
The InChIKey is YXUUVKDKWMJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-19(4)15-9-7-6-8-14(15)18-16(20)17-10-11-21-12-13(2)3/h6-9H,2,5,10-12H2,1,3-4H3,(H2,17,18,20).
What are the key properties of 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea?
1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea has a molecular weight of 291.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea is sourced from PubChem (CID 71917488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).