3-[ethyl(2-methoxyethyl)amino]propylurea

C9H21N3O2 — CID 89337581

IUPAC3-[ethyl(2-methoxyethyl)amino]propylurea
SMILESCCN(CCCNC(N)=O)CCOC
InChIInChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-11-9(10)13/h3-8H2,1-2H3,(H3,10,11,13)
InChIKeyNSENCGOPDGALNO-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.01
Rot. Bonds8

About 3-[ethyl(2-methoxyethyl)amino]propylurea

3-[ethyl(2-methoxyethyl)amino]propylurea (PubChem CID 89337581) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]propylurea.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]propylurea
PubChem CID89337581
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[ethyl(2-methoxyethyl)amino]propylurea
SMILESCCN(CCCNC(N)=O)CCOC
InChIInChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-11-9(10)13/h3-8H2,1-2H3,(H3,10,11,13)
InChIKeyNSENCGOPDGALNO-UHFFFAOYSA-N
XLogP0.01
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[ethyl(2-methoxyethyl)amino]propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
3-methoxypropylurea
CID 2064040
2-[ethyl(2-methoxyethyl)amino]ethyl 4-acetamidobutanoate
CID 158153026
4-[ethyl(2-methoxyethyl)amino]butanehydrazide
CID 63584044
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
4-[ethyl(2-methoxyethyl)amino]butan-1-ol;yttrium
CID 156869165
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
carbamothioic S-acid;N,N-diethylethanamine;3-methoxypropylcarbamothioic S-acid
CID 87956666
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
CID 108893604
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propylurea?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]propylurea (CID 89337581) is 3-[ethyl(2-methoxyethyl)amino]propylurea.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]propylurea?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]propylurea is CCN(CCCNC(N)=O)CCOC.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]propylurea?
The InChIKey is NSENCGOPDGALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-12(7-8-14-2)6-4-5-11-9(10)13/h3-8H2,1-2H3,(H3,10,11,13).
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]propylurea?
3-[ethyl(2-methoxyethyl)amino]propylurea has a molecular weight of 203.29 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]propylurea is sourced from PubChem (CID 89337581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).