1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

C21H26N2O2 — CID 108874721

IUPAC1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16(3)18-7-5-6-8-19(18)23-21(25)22-14-13-20(24)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H2,22,23,25)
InChIKeyUAFSXSUQAIKSBG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.90
Rot. Bonds7

About 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea

1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (PubChem CID 108874721) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
PubChem CID108874721
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
SMILESCCC(C)c1ccccc1NC(=O)NCCC(=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-16(3)18-7-5-6-8-19(18)23-21(25)22-14-13-20(24)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H2,22,23,25)
InChIKeyUAFSXSUQAIKSBG-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butan-2-ylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 108899158
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 108874433
1-(2,6-diethylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874505
1-(3-chloro-2-methylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874436
1-(2-butan-2-ylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900398
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
1-(2,4-dichlorophenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874450

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea (CID 108874721) is 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is CCC(C)c1ccccc1NC(=O)NCCC(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
The InChIKey is UAFSXSUQAIKSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-16(3)18-7-5-6-8-19(18)23-21(25)22-14-13-20(24)17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea?
1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea has a molecular weight of 338.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylphenyl)-3-[3-(4-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 108874721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).