1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea

C15H23N3O — CID 108911457

IUPAC1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCN(C)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-11-16-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-11H,1-5H3,(H2,16,17,19)/b11-10+
InChIKeyDUGGYMYQKZSDEI-ZHACJKMWSA-N
MW261.37 g/mol
LogP3.43
Rot. Bonds3

About 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea

1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea (PubChem CID 108911457) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
PubChem CID108911457
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea
SMILESCN(C)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,3)10-11-16-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-11H,1-5H3,(H2,16,17,19)/b11-10+
InChIKeyDUGGYMYQKZSDEI-ZHACJKMWSA-N
XLogP3.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-3-ethenylurea
CID 108909228
1-(4-acetylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911352
1-[(E)-3,3-dimethylbut-1-enyl]-3-naphthalen-2-ylurea
CID 108911462
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
1-(4-bromophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 100973286
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
3-amino-N-[4-(dimethylamino)phenyl]-3-methylbutanamide
CID 64685391
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
1-(2,6-dichlorophenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911530
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
2-[4-(dimethylamino)anilino]-2-methylpropanoic acid
CID 82127908

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea (CID 108911457) is 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea is CN(C)c1ccc(NC(=O)N/C=C/C(C)(C)C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
The InChIKey is DUGGYMYQKZSDEI-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)10-11-16-14(19)17-12-6-8-13(9-7-12)18(4)5/h6-11H,1-5H3,(H2,16,17,19)/b11-10+.
What are the key properties of 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea?
1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea has a molecular weight of 261.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-3-[(E)-3,3-dimethylbut-1-enyl]urea is sourced from PubChem (CID 108911457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).