1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea

C14H20N2O4 — CID 103876096

IUPAC1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
SMILESCOCC(O)CCNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O4/c1-10(17)11-4-3-5-12(8-11)16-14(19)15-7-6-13(18)9-20-2/h3-5,8,13,18H,6-7,9H2,1-2H3,(H2,15,16,19)
InChIKeyOMBPKMWHHCWZSM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.41
Rot. Bonds7

About 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea

1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea (PubChem CID 103876096) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
PubChem CID103876096
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
SMILESCOCC(O)CCNC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C14H20N2O4/c1-10(17)11-4-3-5-12(8-11)16-14(19)15-7-6-13(18)9-20-2/h3-5,8,13,18H,6-7,9H2,1-2H3,(H2,15,16,19)
InChIKeyOMBPKMWHHCWZSM-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
1-(4-bromo-3,5-dimethylphenyl)-3-[(3R)-3-hydroxy-4-methoxybutyl]urea
CID 99836310
1-(3-acetylphenyl)-3-(4-methoxy-2,2-dimethylbutyl)urea
CID 104625314
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
CID 47201886
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
1-(3-acetylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970277
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea (CID 103876096) is 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea is COCC(O)CCNC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea?
The InChIKey is OMBPKMWHHCWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(17)11-4-3-5-12(8-11)16-14(19)15-7-6-13(18)9-20-2/h3-5,8,13,18H,6-7,9H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea?
1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea has a molecular weight of 280.32 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea is sourced from PubChem (CID 103876096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).