1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea

C15H24N2O2 — CID 115168613

IUPAC1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-10-11(6-7-13(12)19-5)8-9-17(4)14(16)18/h6-7,10H,8-9H2,1-5H3,(H2,16,18)
InChIKeyBDEUXGUYVPEQET-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea

1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 115168613) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
PubChem CID115168613
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccc(CCN(C)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-15(2,3)12-10-11(6-7-13(12)19-5)8-9-17(4)14(16)18/h6-7,10H,8-9H2,1-5H3,(H2,16,18)
InChIKeyBDEUXGUYVPEQET-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
N-(bromomethyl)-2-(3-tert-butyl-4-methoxyphenyl)-N-methylethanamine
CID 115262355
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
methyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 82553687
N-[(3-tert-butyl-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 115139923
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
2-(3-tert-butyl-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847423
2-hydroxyethyl 3-(3-tert-butyl-4-methoxyphenyl)propanoate
CID 21199201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea (CID 115168613) is 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea is COc1ccc(CCN(C)C(N)=O)cc1C(C)(C)C.
What is the InChIKey of 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is BDEUXGUYVPEQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)12-10-11(6-7-13(12)19-5)8-9-17(4)14(16)18/h6-7,10H,8-9H2,1-5H3,(H2,16,18).
What are the key properties of 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea?
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 264.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 115168613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).