3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea

C14H22N2O2 — CID 71994436

IUPAC3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCCNC(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-5-15-14(17)16(3)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyKODYCOMTDSMSLS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds5

About 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 71994436) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
PubChem CID71994436
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCCNC(=O)N(C)C(C)Cc1ccccc1OC
InChIInChI=1S/C14H22N2O2/c1-5-15-14(17)16(3)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11H,5,10H2,1-4H3,(H,15,17)
InChIKeyKODYCOMTDSMSLS-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
CID 65486876
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea (CID 71994436) is 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea is CCNC(=O)N(C)C(C)Cc1ccccc1OC.
What is the InChIKey of 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is KODYCOMTDSMSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-15-14(17)16(3)11(2)10-12-8-6-7-9-13(12)18-4/h6-9,11H,5,10H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 250.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 71994436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).