1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea

C18H28N2O3 — CID 111431597

IUPAC1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-14(23-2)15-8-7-9-16(12-15)20-17(21)19-13-18(22)10-5-3-4-6-11-18/h7-9,12,14,22H,3-6,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyOOEBPBUCBNAUMO-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.60
Rot. Bonds5

About 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea

1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea (PubChem CID 111431597) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
PubChem CID111431597
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-14(23-2)15-8-7-9-16(12-15)20-17(21)19-13-18(22)10-5-3-4-6-11-18/h7-9,12,14,22H,3-6,10-11,13H2,1-2H3,(H2,19,20,21)
InChIKeyOOEBPBUCBNAUMO-UHFFFAOYSA-N
XLogP3.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 71914833
1-[1-(hydroxymethyl)cyclopentyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111926256
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
1-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-ylurea
CID 111425504
1-[3-(1-methoxyethyl)phenyl]-3-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]urea
CID 102559364
1-[2,6-di(propan-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103405
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
1-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-[3-[(1R)-1-methoxyethyl]phenyl]urea
CID 124733086

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The IUPAC name of 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea (CID 111431597) is 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea.
What is the SMILES notation for 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The canonical SMILES for 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea is COC(C)c1cccc(NC(=O)NCC2(O)CCCCCC2)c1.
What is the InChIKey of 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea?
The InChIKey is OOEBPBUCBNAUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(23-2)15-8-7-9-16(12-15)20-17(21)19-13-18(22)10-5-3-4-6-11-18/h7-9,12,14,22H,3-6,10-11,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea?
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea has a molecular weight of 320.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea is sourced from PubChem (CID 111431597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).