1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea

C24H30N4O2 — CID 130470894

IUPAC1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea
SMILESCCCCc1cn(-c2ccc(NC(=O)Nc3cc(CCC(C)=O)ccc3C)cc2)[nH]1
InChIInChI=1S/C24H30N4O2/c1-4-5-6-21-16-28(27-21)22-13-11-20(12-14-22)25-24(30)26-23-15-19(9-7-17(23)2)10-8-18(3)29/h7,9,11-16,27H,4-6,8,10H2,1-3H3,(H2,25,26,30)
InChIKeyYCQOXMSFHBDRNO-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.62
Rot. Bonds9

About 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea

1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea (PubChem CID 130470894) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea
PubChem CID130470894
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea
SMILESCCCCc1cn(-c2ccc(NC(=O)Nc3cc(CCC(C)=O)ccc3C)cc2)[nH]1
InChIInChI=1S/C24H30N4O2/c1-4-5-6-21-16-28(27-21)22-13-11-20(12-14-22)25-24(30)26-23-15-19(9-7-17(23)2)10-8-18(3)29/h7,9,11-16,27H,4-6,8,10H2,1-3H3,(H2,25,26,30)
InChIKeyYCQOXMSFHBDRNO-UHFFFAOYSA-N
XLogP5.62
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]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-(5-butyl-1,2-dihydrotriazol-3-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea
CID 130471146
1-(4-butylphenyl)-3-(2,4,5-trimethylphenyl)urea
CID 3705190
1-(4-butylphenyl)-3-(3,4-dimethylphenyl)urea
CID 108894025
ethane;4-[3-(hydroxyamino)-4-methylphenyl]butan-2-one
CID 143272325
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
1-(4-butylphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)urea
CID 44536218
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
1-[4-(aminomethyl)phenyl]-3-(5-fluoro-2-methylphenyl)urea
CID 43133007
1-[4-(butylamino)phenyl]-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 166689610
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea?
The IUPAC name of 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea (CID 130470894) is 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea.
What is the SMILES notation for 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea?
The canonical SMILES for 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea is CCCCc1cn(-c2ccc(NC(=O)Nc3cc(CCC(C)=O)ccc3C)cc2)[nH]1.
What is the InChIKey of 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea?
The InChIKey is YCQOXMSFHBDRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-5-6-21-16-28(27-21)22-13-11-20(12-14-22)25-24(30)26-23-15-19(9-7-17(23)2)10-8-18(3)29/h7,9,11-16,27H,4-6,8,10H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea?
1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea has a molecular weight of 406.53 g/mol, XLogP of 5.62, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyl-1H-diazet-2-yl)phenyl]-3-[2-methyl-5-(3-oxobutyl)phenyl]urea is sourced from PubChem (CID 130470894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).