1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea

C14H20N2O3 — CID 107302725

IUPAC1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
SMILESCC(=O)c1cccc(NC(=O)NCCCCCO)c1
InChIInChI=1S/C14H20N2O3/c1-11(18)12-6-5-7-13(10-12)16-14(19)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H2,15,16,19)
InChIKeyXMXIZDCWITWESN-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.17
Rot. Bonds7

About 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea

1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea (PubChem CID 107302725) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
PubChem CID107302725
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
SMILESCC(=O)c1cccc(NC(=O)NCCCCCO)c1
InChIInChI=1S/C14H20N2O3/c1-11(18)12-6-5-7-13(10-12)16-14(19)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H2,15,16,19)
InChIKeyXMXIZDCWITWESN-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
1-(3-acetylphenyl)-3-heptylthiourea
CID 19650862
3-(pentylcarbamoylamino)benzamide
CID 47033052
3-[(3-acetylphenyl)carbamoylamino]-N-propylpropanamide
CID 61066520
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
3-[3-(methylamino)propylcarbamoylamino]benzoic acid
CID 61404161
5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
CID 58757430
1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
N-[3-[3-(dimethylamino)propylcarbamoylamino]phenyl]acetamide
CID 108884144

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea (CID 107302725) is 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea is CC(=O)c1cccc(NC(=O)NCCCCCO)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea?
The InChIKey is XMXIZDCWITWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(18)12-6-5-7-13(10-12)16-14(19)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H2,15,16,19).
What are the key properties of 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea?
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea has a molecular weight of 264.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 107302725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).