ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea

C12H23N3O2 — CID 143608775

IUPACethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea
SMILESCC.COCCNC(=O)NC1=CCCC(C)=N1
InChIInChI=1S/C10H17N3O2.C2H6/c1-8-4-3-5-9(12-8)13-10(14)11-6-7-15-2;1-2/h5H,3-4,6-7H2,1-2H3,(H2,11,13,14);1-2H3
InChIKeyCBGTUFMATSNHLS-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.05
Rot. Bonds4

About ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea

ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea (PubChem CID 143608775) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea
PubChem CID143608775
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nameethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea
SMILESCC.COCCNC(=O)NC1=CCCC(C)=N1
InChIInChI=1S/C10H17N3O2.C2H6/c1-8-4-3-5-9(12-8)13-10(14)11-6-7-15-2;1-2/h5H,3-4,6-7H2,1-2H3,(H2,11,13,14);1-2H3
InChIKeyCBGTUFMATSNHLS-UHFFFAOYSA-N
XLogP2.05
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)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-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
CID 108890504
ethyl 4-(2-methoxyethylcarbamoylamino)benzoate
CID 47146237
1-(2-methoxyethyl)-3-(1,3-oxazol-4-yl)urea
CID 130626516
1-(3,5-dichloro-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 60591458
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
3,5-dichloro-4-(2-methoxyethylcarbamoylamino)benzoic acid
CID 82830151
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
CID 75427067

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea?
The IUPAC name of ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea (CID 143608775) is ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea.
What is the SMILES notation for ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea?
The canonical SMILES for ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea is CC.COCCNC(=O)NC1=CCCC(C)=N1.
What is the InChIKey of ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea?
The InChIKey is CBGTUFMATSNHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.C2H6/c1-8-4-3-5-9(12-8)13-10(14)11-6-7-15-2;1-2/h5H,3-4,6-7H2,1-2H3,(H2,11,13,14);1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea?
ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea has a molecular weight of 241.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)-3-(2-methyl-3,4-dihydropyridin-6-yl)urea is sourced from PubChem (CID 143608775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).