1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea

C10H23N3O2 — CID 108893604

IUPAC1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
SMILESCCN(CC)CCCNC(=O)NCOC
InChIInChI=1S/C10H23N3O2/c1-4-13(5-2)8-6-7-11-10(14)12-9-15-3/h4-9H2,1-3H3,(H2,11,12,14)
InChIKeyMPCPSRDMUXHWLA-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.62
Rot. Bonds8

About 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea

1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea (PubChem CID 108893604) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
PubChem CID108893604
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea
SMILESCCN(CC)CCCNC(=O)NCOC
InChIInChI=1S/C10H23N3O2/c1-4-13(5-2)8-6-7-11-10(14)12-9-15-3/h4-9H2,1-3H3,(H2,11,12,14)
InChIKeyMPCPSRDMUXHWLA-UHFFFAOYSA-N
XLogP0.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea 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

1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
3-[ethyl(2-methoxyethyl)amino]propylurea
CID 89337581
N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
methyl 2-[3-(diethylamino)propylcarbamoylamino]-4-methylpentanoate
CID 5184575
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891118
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
2-[3-(diethylamino)propylcarbamoylamino]butanoic acid
CID 61189654
1-[3-(diethylamino)propyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911426
1-[[3-(diethylamino)propylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433956

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea (CID 108893604) is 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea is CCN(CC)CCCNC(=O)NCOC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea?
The InChIKey is MPCPSRDMUXHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-13(5-2)8-6-7-11-10(14)12-9-15-3/h4-9H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea?
1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea has a molecular weight of 217.31 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(methoxymethyl)urea is sourced from PubChem (CID 108893604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).