1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea

C14H22N2O2 — CID 115168970

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)16(5)13(17)15-4/h7-9H,1-6H3,(H,15,17)
InChIKeyRTGFVQIIGKZMOA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.77
Rot. Bonds2

About 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea

1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea (PubChem CID 115168970) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
PubChem CID115168970
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)16(5)13(17)15-4/h7-9H,1-6H3,(H,15,17)
InChIKeyRTGFVQIIGKZMOA-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193389
N-(5-tert-butyl-2-methoxyphenyl)-2-hydroxy-N-methylacetamide
CID 115139672
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
1-(2-methoxy-5-propan-2-ylphenyl)-1,3-dimethylurea
CID 115168976
5-tert-butyl-2-methoxy-N-(methoxymethyl)-N-methylaniline
CID 115258334
5-tert-butyl-N-(2-chloroethyl)-2-methoxy-N-methylaniline
CID 115214686
4-(5-tert-butyl-2-methoxy-N-methylanilino)butan-1-ol
CID 115217458
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
2-(5-tert-butyl-2-methoxy-N-methylanilino)propanenitrile
CID 115129971
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
cerium(4+);tetrakis(N,5-ditert-butyl-2-methoxy-N-oxidoaniline)
CID 139163937

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea (CID 115168970) is 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea?
The InChIKey is RTGFVQIIGKZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-7-8-12(18-6)11(9-10)16(5)13(17)15-4/h7-9H,1-6H3,(H,15,17).
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea?
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea has a molecular weight of 250.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea is sourced from PubChem (CID 115168970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).