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

C15H22N2O2 — CID 108914659

IUPAC1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)12(4)9-16-15(18)17-13-8-11(3)6-7-14(13)19-5/h6-10H,1-5H3,(H2,16,17,18)/b12-9+
InChIKeyIRQUGXDHFNJZON-FMIVXFBMSA-N
MW262.35 g/mol
LogP3.68
Rot. Bonds4

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

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 108914659) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID108914659
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)C
InChIInChI=1S/C15H22N2O2/c1-10(2)12(4)9-16-15(18)17-13-8-11(3)6-7-14(13)19-5/h6-10H,1-5H3,(H2,16,17,18)/b12-9+
InChIKeyIRQUGXDHFNJZON-FMIVXFBMSA-N
XLogP3.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915032
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-(3-chloro-4-methoxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914572
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
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
2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 24511206
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
(2R)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 26539879
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
methyl 3-(2-methoxy-5-methylanilino)but-2-enoate
CID 156769346

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea (CID 108914659) is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)N/C=C(\C)C(C)C.
What is the InChIKey of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is IRQUGXDHFNJZON-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)12(4)9-16-15(18)17-13-8-11(3)6-7-14(13)19-5/h6-10H,1-5H3,(H2,16,17,18)/b12-9+.
What are the key properties of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 262.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 108914659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).