2-[(4-methoxyphenyl)methylamino]ethylurea

C11H17N3O2 — CID 83110239

IUPAC2-[(4-methoxyphenyl)methylamino]ethylurea
SMILESCOc1ccc(CNCCNC(N)=O)cc1
InChIInChI=1S/C11H17N3O2/c1-16-10-4-2-9(3-5-10)8-13-6-7-14-11(12)15/h2-5,13H,6-8H2,1H3,(H3,12,14,15)
InChIKeyJZZKIPRHCHPLIA-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylamino]ethylurea

2-[(4-methoxyphenyl)methylamino]ethylurea (PubChem CID 83110239) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]ethylurea
PubChem CID83110239
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4-methoxyphenyl)methylamino]ethylurea
SMILESCOc1ccc(CNCCNC(N)=O)cc1
InChIInChI=1S/C11H17N3O2/c1-16-10-4-2-9(3-5-10)8-13-6-7-14-11(12)15/h2-5,13H,6-8H2,1H3,(H3,12,14,15)
InChIKeyJZZKIPRHCHPLIA-UHFFFAOYSA-N
XLogP0.45
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
4-[[2-(carbamoylamino)ethylamino]methyl]benzoic acid
CID 83109931
2-[(2-fluoro-4-methoxyphenyl)methylamino]ethylurea
CID 102876604
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
5-[(4-methoxyphenyl)methylamino]pentan-2-one
CID 115236436
2-[(4-cyanophenyl)methylamino]ethylurea
CID 83111146
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(3,4-dihydroxyphenyl)methylamino]ethylurea
CID 83111530

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]ethylurea?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]ethylurea (CID 83110239) is 2-[(4-methoxyphenyl)methylamino]ethylurea.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]ethylurea?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]ethylurea is COc1ccc(CNCCNC(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]ethylurea?
The InChIKey is JZZKIPRHCHPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-10-4-2-9(3-5-10)8-13-6-7-14-11(12)15/h2-5,13H,6-8H2,1H3,(H3,12,14,15).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]ethylurea?
2-[(4-methoxyphenyl)methylamino]ethylurea has a molecular weight of 223.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]ethylurea is sourced from PubChem (CID 83110239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).