3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea

C14H23N3O2 — CID 83117123

IUPAC3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(CNCCNC(=O)N(C)C)cc1C
InChIInChI=1S/C14H23N3O2/c1-11-9-12(5-6-13(11)19-4)10-15-7-8-16-14(18)17(2)3/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyQNNVMNGAUPSENZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.36
Rot. Bonds6

About 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea

3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83117123) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83117123
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccc(CNCCNC(=O)N(C)C)cc1C
InChIInChI=1S/C14H23N3O2/c1-11-9-12(5-6-13(11)19-4)10-15-7-8-16-14(18)17(2)3/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyQNNVMNGAUPSENZ-UHFFFAOYSA-N
XLogP1.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011
3-[2-[(3-ethoxy-4-hydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83110402
3-[2-[(3,4-dibromophenyl)methylamino]ethyl]-1,1-dimethylurea
CID 113483311
methyl 4-[[2-(dimethylcarbamoylamino)ethylamino]methyl]benzoate
CID 83109550
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 43771862
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[(4-methoxy-3-methylphenyl)methylamino]-N,N-dimethylpropanamide
CID 43778166
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
CID 110779766
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea (CID 83117123) is 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea is COc1ccc(CNCCNC(=O)N(C)C)cc1C.
What is the InChIKey of 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is QNNVMNGAUPSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-9-12(5-6-13(11)19-4)10-15-7-8-16-14(18)17(2)3/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 265.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83117123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).