1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea

C22H30N2O — CID 15137572

IUPAC1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
SMILESCCCCN(CCCc1ccccc1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H30N2O/c1-4-5-15-24(16-9-12-20-10-7-6-8-11-20)22(25)23-21-14-13-18(2)17-19(21)3/h6-8,10-11,13-14,17H,4-5,9,12,15-16H2,1-3H3,(H,23,25)
InChIKeyAXHIFAWLPSYWCY-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.57
Rot. Bonds8

About 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea

1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea (PubChem CID 15137572) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
PubChem CID15137572
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea
SMILESCCCCN(CCCc1ccccc1)C(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C22H30N2O/c1-4-5-15-24(16-9-12-20-10-7-6-8-11-20)22(25)23-21-14-13-18(2)17-19(21)3/h6-8,10-11,13-14,17H,4-5,9,12,15-16H2,1-3H3,(H,23,25)
InChIKeyAXHIFAWLPSYWCY-UHFFFAOYSA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574
1-benzyl-3-(2,4-dimethylphenyl)-1-undecylurea
CID 15137562
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
1-benzyl-1-[(4-butylphenyl)methyl]-3-(2,4,5-trimethylphenyl)urea
CID 15137604
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
[4-[[butyl-[(2,4-dimethylphenyl)carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4593867
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
1,1-dibutyl-3-(2,3-dimethylphenyl)urea
CID 4157557
3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120344
3-[4-(dimethylamino)-2-methylphenyl]-1-(2-hydroxyethyl)-1-pentylurea
CID 111120559
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3284665

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea?
The IUPAC name of 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea (CID 15137572) is 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea.
What is the SMILES notation for 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea?
The canonical SMILES for 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea is CCCCN(CCCc1ccccc1)C(=O)Nc1ccc(C)cc1C.
What is the InChIKey of 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea?
The InChIKey is AXHIFAWLPSYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-4-5-15-24(16-9-12-20-10-7-6-8-11-20)22(25)23-21-14-13-18(2)17-19(21)3/h6-8,10-11,13-14,17H,4-5,9,12,15-16H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea?
1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea has a molecular weight of 338.50 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2,4-dimethylphenyl)-1-(3-phenylpropyl)urea is sourced from PubChem (CID 15137572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).