2-(2-amino-3-ethoxyanilino)ethylurea

C11H18N4O2 — CID 113392780

IUPAC2-(2-amino-3-ethoxyanilino)ethylurea
SMILESCCOc1cccc(NCCNC(N)=O)c1N
InChIInChI=1S/C11H18N4O2/c1-2-17-9-5-3-4-8(10(9)12)14-6-7-15-11(13)16/h3-5,14H,2,6-7,12H2,1H3,(H3,13,15,16)
InChIKeyPFHKQCLYAIXTLH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.75
Rot. Bonds6

About 2-(2-amino-3-ethoxyanilino)ethylurea

2-(2-amino-3-ethoxyanilino)ethylurea (PubChem CID 113392780) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-amino-3-ethoxyanilino)ethylurea.

Molecular Properties

Compound Name2-(2-amino-3-ethoxyanilino)ethylurea
PubChem CID113392780
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(2-amino-3-ethoxyanilino)ethylurea
SMILESCCOc1cccc(NCCNC(N)=O)c1N
InChIInChI=1S/C11H18N4O2/c1-2-17-9-5-3-4-8(10(9)12)14-6-7-15-11(13)16/h3-5,14H,2,6-7,12H2,1H3,(H3,13,15,16)
InChIKeyPFHKQCLYAIXTLH-UHFFFAOYSA-N
XLogP0.75
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
2-(2-amino-3-methylsulfonylanilino)ethylurea
CID 83117083
3-(2-ethoxyanilino)propanamide
CID 43131857
2-amino-3-ethoxybenzamide
CID 70121071
3-ethoxy-1-N-(2-methyl-2-methylsulfanylpropyl)benzene-1,2-diamine
CID 113478575
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
3-ethoxy-1-N-[2-(1-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 106104073
3-(2-amino-3-propoxyanilino)-2,2-dimethylpropanamide
CID 106275179
3-ethoxy-1-N-[(1-propylcyclopropyl)methyl]benzene-1,2-diamine
CID 114099220
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
1-(2-amino-3-ethoxyphenyl)propan-2-one
CID 118841297

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-ethoxyanilino)ethylurea?
The IUPAC name of 2-(2-amino-3-ethoxyanilino)ethylurea (CID 113392780) is 2-(2-amino-3-ethoxyanilino)ethylurea.
What is the SMILES notation for 2-(2-amino-3-ethoxyanilino)ethylurea?
The canonical SMILES for 2-(2-amino-3-ethoxyanilino)ethylurea is CCOc1cccc(NCCNC(N)=O)c1N.
What is the InChIKey of 2-(2-amino-3-ethoxyanilino)ethylurea?
The InChIKey is PFHKQCLYAIXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-17-9-5-3-4-8(10(9)12)14-6-7-15-11(13)16/h3-5,14H,2,6-7,12H2,1H3,(H3,13,15,16).
What are the key properties of 2-(2-amino-3-ethoxyanilino)ethylurea?
2-(2-amino-3-ethoxyanilino)ethylurea has a molecular weight of 238.29 g/mol, XLogP of 0.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-ethoxyanilino)ethylurea is sourced from PubChem (CID 113392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).