1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea

C14H22N2O2 — CID 112969935

IUPAC1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCCN(CC)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(17)15-9-10-18-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)
InChIKeyIFKMJTUKXZVDBS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.43
Rot. Bonds6

About 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea

1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 112969935) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
PubChem CID112969935
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCCN(CC)C(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)14(17)15-9-10-18-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)
InChIKeyIFKMJTUKXZVDBS-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
N,N-diethyl-3-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]propanamide
CID 111366859
3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-1,1-diethylurea
CID 112977185
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
CID 47110276
N,N-diethyl-1-[1-[2-(3-methylphenoxy)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 60603436
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
5-chloro-N-[2-(3-methylphenoxy)ethyl]furan-2-carboxamide
CID 32754386

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea (CID 112969935) is 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea is CCN(CC)C(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is IFKMJTUKXZVDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)14(17)15-9-10-18-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17).
What are the key properties of 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea?
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 250.34 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).