1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

C18H28N2O3 — CID 111426773

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C18H28N2O3/c1-14(12-15-6-8-16(21)9-7-15)20-17(22)19-13-18(23)10-4-2-3-5-11-18/h6-9,14,21,23H,2-5,10-13H2,1H3,(H2,19,20,22)
InChIKeyWWHSRJAXQNVHKJ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.71
Rot. Bonds5

About 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (PubChem CID 111426773) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
PubChem CID111426773
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(Cc1ccc(O)cc1)NC(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C18H28N2O3/c1-14(12-15-6-8-16(21)9-7-15)20-17(22)19-13-18(23)10-4-2-3-5-11-18/h6-9,14,21,23H,2-5,10-13H2,1H3,(H2,19,20,22)
InChIKeyWWHSRJAXQNVHKJ-UHFFFAOYSA-N
XLogP2.71
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.71
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-hydroxycyclobutyl)methyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 111438069
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 77056076
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
1-[(1-hydroxycyclohexyl)methyl]-3-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]urea
CID 126443757
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[(1-hydroxycyclobutyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 115696780
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (CID 111426773) is 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is CC(Cc1ccc(O)cc1)NC(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The InChIKey is WWHSRJAXQNVHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(12-15-6-8-16(21)9-7-15)20-17(22)19-13-18(23)10-4-2-3-5-11-18/h6-9,14,21,23H,2-5,10-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 111426773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).