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

C17H26N2O3 — CID 111103971

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H26N2O3/c1-13(4-5-14-6-8-15(20)9-7-14)19-16(21)18-12-17(22)10-2-3-11-17/h6-9,13,20,22H,2-5,10-12H2,1H3,(H2,18,19,21)
InChIKeyCDIWCCJXCLXUQP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds6

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

1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 111103971) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID111103971
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H26N2O3/c1-13(4-5-14-6-8-15(20)9-7-14)19-16(21)18-12-17(22)10-2-3-11-17/h6-9,13,20,22H,2-5,10-12H2,1H3,(H2,18,19,21)
InChIKeyCDIWCCJXCLXUQP-UHFFFAOYSA-N
XLogP2.32
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 111426773
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
methyl 4-[[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]methyl]benzoate
CID 43066055
1-(2-hydroxypentyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111337923
1-(2-hydroxy-2,3-dimethylbutyl)-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111120894
1-[(2,5-dimethylphenyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 168974029
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-propan-2-yloxyphenyl)ethyl]urea
CID 111104008

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 111103971) is 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCCC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is CDIWCCJXCLXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(4-5-14-6-8-15(20)9-7-14)19-16(21)18-12-17(22)10-2-3-11-17/h6-9,13,20,22H,2-5,10-12H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 111103971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).