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

C16H24N2O3 — CID 111438069

IUPAC1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H24N2O3/c1-12(3-4-13-5-7-14(19)8-6-13)18-15(20)17-11-16(21)9-2-10-16/h5-8,12,19,21H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeyMSFAEKYVNUUFJD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds6

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

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (PubChem CID 111438069) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
PubChem CID111438069
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
SMILESCC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCC1
InChIInChI=1S/C16H24N2O3/c1-12(3-4-13-5-7-14(19)8-6-13)18-15(20)17-11-16(21)9-2-10-16/h5-8,12,19,21H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeyMSFAEKYVNUUFJD-UHFFFAOYSA-N
XLogP1.93
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111103971
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
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
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 25489004
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
N-[4-[4-(4-hydroxyphenyl)butan-2-ylcarbamoylamino]phenyl]-3-methylbutanamide
CID 55698400

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The IUPAC name of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea (CID 111438069) is 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The canonical SMILES for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is CC(CCc1ccc(O)cc1)NC(=O)NCC1(O)CCC1.
What is the InChIKey of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
The InChIKey is MSFAEKYVNUUFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(3-4-13-5-7-14(19)8-6-13)18-15(20)17-11-16(21)9-2-10-16/h5-8,12,19,21H,2-4,9-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea?
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea has a molecular weight of 292.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea is sourced from PubChem (CID 111438069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).