1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

C16H26N2O3 — CID 111337923

IUPAC1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCCCC(O)CNC(=O)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-3-4-15(20)11-17-16(21)18-12(2)5-6-13-7-9-14(19)10-8-13/h7-10,12,15,19-20H,3-6,11H2,1-2H3,(H2,17,18,21)
InChIKeyDFAMINHZDMRHOT-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.17
Rot. Bonds8

About 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea

1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 111337923) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID111337923
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCCCC(O)CNC(=O)NC(C)CCc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-3-4-15(20)11-17-16(21)18-12(2)5-6-13-7-9-14(19)10-8-13/h7-10,12,15,19-20H,3-6,11H2,1-2H3,(H2,17,18,21)
InChIKeyDFAMINHZDMRHOT-UHFFFAOYSA-N
XLogP2.17
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 110895529
2-amino-N-(2-hydroxypentyl)-3-(4-hydroxyphenyl)propanamide
CID 114350775
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
CID 43066055
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
1-[(2,5-dimethylphenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974029

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 111337923) is 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CCCC(O)CNC(=O)NC(C)CCc1ccc(O)cc1.
What is the InChIKey of 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is DFAMINHZDMRHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-4-15(20)11-17-16(21)18-12(2)5-6-13-7-9-14(19)10-8-13/h7-10,12,15,19-20H,3-6,11H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 294.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 111337923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).