1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C16H24N2O3 — CID 103709881

IUPAC1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-13(9-10-19)11-17-16(21)18-15-7-5-14(6-8-15)12(2)20/h5-8,13,19H,3-4,9-11H2,1-2H3,(H2,17,18,21)
InChIKeyXRKWBRUTUJDVAM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.81
Rot. Bonds8

About 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 103709881) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID103709881
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-13(9-10-19)11-17-16(21)18-15-7-5-14(6-8-15)12(2)20/h5-8,13,19H,3-4,9-11H2,1-2H3,(H2,17,18,21)
InChIKeyXRKWBRUTUJDVAM-UHFFFAOYSA-N
XLogP2.81
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
4-[[2-(2-hydroxyethyl)pentylcarbamoylamino]methyl]benzoic acid
CID 122020996
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 103709881) is 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is XRKWBRUTUJDVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-13(9-10-19)11-17-16(21)18-15-7-5-14(6-8-15)12(2)20/h5-8,13,19H,3-4,9-11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 292.38 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 103709881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).