1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea

C18H28N2O3 — CID 142667053

IUPAC1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
SMILESCCCCCCNC(=O)NC(CO)C(O)C=Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-3-4-8-13-19-18(23)20-16(14-21)17(22)12-11-15-9-6-5-7-10-15/h5-7,9-12,16-17,21-22H,2-4,8,13-14H2,1H3,(H2,19,20,23)
InChIKeyAYBSOLUIAHSCOH-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.30
Rot. Bonds10

About 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea

1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea (PubChem CID 142667053) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea.

Molecular Properties

Compound Name1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
PubChem CID142667053
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea
SMILESCCCCCCNC(=O)NC(CO)C(O)C=Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-3-4-8-13-19-18(23)20-16(14-21)17(22)12-11-15-9-6-5-7-10-15/h5-7,9-12,16-17,21-22H,2-4,8,13-14H2,1H3,(H2,19,20,23)
InChIKeyAYBSOLUIAHSCOH-UHFFFAOYSA-N
XLogP2.30
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]-3-hexylurea
CID 142667075
1-[5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]-3-dodecylurea
CID 142667082
1-butyl-3-[5-(4-chlorophenyl)-1,3-dihydroxypent-4-en-2-yl]urea
CID 142667081
1-butyl-3-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)thiourea
CID 142667039
1-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hexylurea
CID 10224348
N-[(E,2S,3R)-1,3-dihydroxy-5-phenylpent-4-en-2-yl]acetamide
CID 10752241
1-[(E,2S,3S)-1,3-dihydroxy-18-pyridin-1-ium-1-yloctadec-4-en-2-yl]-3-tetradecylurea
CID 11714572
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
N-[(2R,3S)-1,3-dihydroxy-5-(4-pentylphenyl)pent-4-en-2-yl]acetamide
CID 91326925
2-[(E)-1-hydroxy-3-phenylprop-2-enyl]octanoic acid
CID 146374482
N-[(E,2S,3R)-1,3-dihydroxy-5-(4-phenylphenyl)pent-4-en-2-yl]acetamide
CID 118714809
1-benzhydryl-3-octadecylurea
CID 142646590

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea?
The IUPAC name of 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea (CID 142667053) is 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea.
What is the SMILES notation for 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea?
The canonical SMILES for 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea is CCCCCCNC(=O)NC(CO)C(O)C=Cc1ccccc1.
What is the InChIKey of 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea?
The InChIKey is AYBSOLUIAHSCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-3-4-8-13-19-18(23)20-16(14-21)17(22)12-11-15-9-6-5-7-10-15/h5-7,9-12,16-17,21-22H,2-4,8,13-14H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea?
1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea has a molecular weight of 320.43 g/mol, XLogP of 2.30, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxy-5-phenylpent-4-en-2-yl)-3-hexylurea is sourced from PubChem (CID 142667053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).