1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea

C15H24N2O2 — CID 3855926

IUPAC1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10-7-8-13(19-6)12(9-10)17-14(18)16-11(2)15(3,4)5/h7-9,11H,1-6H3,(H2,16,17,18)
InChIKeyYXXSKCDTRMBLDS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.56
Rot. Bonds3

About 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea

1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 3855926) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID3855926
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-10-7-8-13(19-6)12(9-10)17-14(18)16-11(2)15(3,4)5/h7-9,11H,1-6H3,(H2,16,17,18)
InChIKeyYXXSKCDTRMBLDS-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 17181700
1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
1-[1-(2,6-dimethylphenoxy)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 3875444
1-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 100612459
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea (CID 3855926) is 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NC(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is YXXSKCDTRMBLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-8-13(19-6)12(9-10)17-14(18)16-11(2)15(3,4)5/h7-9,11H,1-6H3,(H2,16,17,18).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea?
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 264.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 3855926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).