1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea

C16H24N2O — CID 108910903

IUPAC1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCCCc1ccc(NC(=O)N/C=C/C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-4-5-6-14-7-9-15(10-8-14)18-16(19)17-12-11-13(2)3/h7-13H,4-6H2,1-3H3,(H2,17,18,19)/b12-11+
InChIKeyPRZQONPTHUQRMH-VAWYXSNFSA-N
MW260.38 g/mol
LogP4.32
Rot. Bonds6

About 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea

1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108910903) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108910903
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCCCc1ccc(NC(=O)N/C=C/C(C)C)cc1
InChIInChI=1S/C16H24N2O/c1-4-5-6-14-7-9-15(10-8-14)18-16(19)17-12-11-13(2)3/h7-13H,4-6H2,1-3H3,(H2,17,18,19)/b12-11+
InChIKeyPRZQONPTHUQRMH-VAWYXSNFSA-N
XLogP4.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61197493
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate
CID 2022302
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea (CID 108910903) is 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea is CCCCc1ccc(NC(=O)N/C=C/C(C)C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is PRZQONPTHUQRMH-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-5-6-14-7-9-15(10-8-14)18-16(19)17-12-11-13(2)3/h7-13H,4-6H2,1-3H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea?
1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 260.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108910903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).