1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea

C16H24N2O3 — CID 104625314

IUPAC1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
SMILESCOCCC(C)(C)CNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(2,3)8-9-21-4/h5-7,10H,8-9,11H2,1-4H3,(H2,17,18,20)
InChIKeyXDLDKITUOCEULD-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.07
Rot. Bonds7

About 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea

1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea (PubChem CID 104625314) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
PubChem CID104625314
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
SMILESCOCCC(C)(C)CNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(2,3)8-9-21-4/h5-7,10H,8-9,11H2,1-4H3,(H2,17,18,20)
InChIKeyXDLDKITUOCEULD-UHFFFAOYSA-N
XLogP3.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxy-4-methoxy-2-methylbutyl]-3-(3-methoxyphenyl)urea
CID 95980205
3-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 113434323
1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 103876096
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
CID 61192307
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
1-(3-chlorophenyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 90501196
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea (CID 104625314) is 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea is COCCC(C)(C)CNC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea?
The InChIKey is XDLDKITUOCEULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)13-6-5-7-14(10-13)18-15(20)17-11-16(2,3)8-9-21-4/h5-7,10H,8-9,11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea?
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea has a molecular weight of 292.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 104625314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).