1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

C16H24N2O2 — CID 108915032

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESCOc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11-7-8-14(20-6)13(9-11)18-15(19)17-10-12(2)16(3,4)5/h7-10H,1-6H3,(H2,17,18,19)/b12-10+
InChIKeyUISBEDFTLNZXEN-ZRDIBKRKSA-N
MW276.38 g/mol
LogP4.08
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea

1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (PubChem CID 108915032) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
PubChem CID108915032
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
SMILESCOc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-11-7-8-14(20-6)13(9-11)18-15(19)17-10-12(2)16(3,4)5/h7-10H,1-6H3,(H2,17,18,19)/b12-10+
InChIKeyUISBEDFTLNZXEN-ZRDIBKRKSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
CID 108914659
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
1-(3,3-dimethylbutan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 3855926
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-methoxy-5-methylphenyl)urea
CID 111976234
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea (CID 108915032) is 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is COc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
The InChIKey is UISBEDFTLNZXEN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-7-8-14(20-6)13(9-11)18-15(19)17-10-12(2)16(3,4)5/h7-10H,1-6H3,(H2,17,18,19)/b12-10+.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea has a molecular weight of 276.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea is sourced from PubChem (CID 108915032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).