1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea

C17H27N3O — CID 108914464

IUPAC1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C17H27N3O/c1-6-13(4)12-18-17(21)19-16-10-9-15(11-14(16)5)20(7-2)8-3/h9-12H,6-8H2,1-5H3,(H2,18,19,21)/b13-12+
InChIKeyYOSNYVWMHYQIRP-OUKQBFOZSA-N
MW289.42 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea

1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914464) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914464
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C17H27N3O/c1-6-13(4)12-18-17(21)19-16-10-9-15(11-14(16)5)20(7-2)8-3/h9-12H,6-8H2,1-5H3,(H2,18,19,21)/b13-12+
InChIKeyYOSNYVWMHYQIRP-OUKQBFOZSA-N
XLogP4.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.28
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-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea
CID 108906713
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide chloride
CID 108884217
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
1-[4-(diethylamino)-2-methylphenyl]-3-(2-iodophenyl)urea
CID 108869059
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
(2S)-2-amino-N-[4-(diethylamino)-2-methylphenyl]-3-methylbutanamide
CID 22690785

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea (CID 108914464) is 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is YOSNYVWMHYQIRP-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H27N3O/c1-6-13(4)12-18-17(21)19-16-10-9-15(11-14(16)5)20(7-2)8-3/h9-12H,6-8H2,1-5H3,(H2,18,19,21)/b13-12+.
What are the key properties of 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea?
1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 289.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-2-methylphenyl]-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).