3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

C15H23N3O2 — CID 111424052

IUPAC3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C15H23N3O2/c1-4-10-18(11-12-19)15(20)16-13-8-6-7-9-14(13)17(3)5-2/h4,6-9,19H,1,5,10-12H2,2-3H3,(H,16,20)
InChIKeyBGIMWSOAGVLLEA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds7

About 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea

3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (PubChem CID 111424052) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
PubChem CID111424052
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccccc1N(C)CC
InChIInChI=1S/C15H23N3O2/c1-4-10-18(11-12-19)15(20)16-13-8-6-7-9-14(13)17(3)5-2/h4,6-9,19H,1,5,10-12H2,2-3H3,(H,16,20)
InChIKeyBGIMWSOAGVLLEA-UHFFFAOYSA-N
XLogP2.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)urea
CID 111117127
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423625
3-[2-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423887
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
3-(2,3-dichlorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423861
2-N-ethyl-2-N-methyl-1-N-prop-2-enylbenzene-1,2-diamine
CID 138644287
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 111117119
3-(2-bromo-4-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423941
1-[2-[ethyl(methyl)amino]phenyl]-3-(2-methylprop-2-enyl)urea
CID 91661600
3-(4-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423865
2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
CID 61193629
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The IUPAC name of 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea (CID 111424052) is 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccccc1N(C)CC.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
The InChIKey is BGIMWSOAGVLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10-18(11-12-19)15(20)16-13-8-6-7-9-14(13)17(3)5-2/h4,6-9,19H,1,5,10-12H2,2-3H3,(H,16,20).
What are the key properties of 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea?
3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea has a molecular weight of 277.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]phenyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).