3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea

C13H21N3O2 — CID 83116563

IUPAC3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccccc1CNCCNC(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-16(2)13(17)15-9-8-14-10-11-6-4-5-7-12(11)18-3/h4-7,14H,8-10H2,1-3H3,(H,15,17)
InChIKeyLTJZLPGOKFZZQK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.06
Rot. Bonds6

About 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea

3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83116563) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83116563
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea
SMILESCOc1ccccc1CNCCNC(=O)N(C)C
InChIInChI=1S/C13H21N3O2/c1-16(2)13(17)15-9-8-14-10-11-6-4-5-7-12(11)18-3/h4-7,14H,8-10H2,1-3H3,(H,15,17)
InChIKeyLTJZLPGOKFZZQK-UHFFFAOYSA-N
XLogP1.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)methylamino]ethylurea
CID 83109260
3-[2-[(2,3-dihydroxyphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116209
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
2-[3-(dimethylamino)propylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108995055
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 4-[[2-(dimethylcarbamoylamino)ethylamino]methyl]benzoate
CID 83109550
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
5-[(2-methoxyphenyl)methylamino]pentyl acetate
CID 82533082
1,1-dimethyl-3-[2-[(2-methyl-3-nitrophenyl)methylamino]ethyl]urea
CID 83120900
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea (CID 83116563) is 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea is COc1ccccc1CNCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is LTJZLPGOKFZZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-16(2)13(17)15-9-8-14-10-11-6-4-5-7-12(11)18-3/h4-7,14H,8-10H2,1-3H3,(H,15,17).
What are the key properties of 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 251.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83116563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).