1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea

C19H28N2O3 — CID 71864345

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESO=C(NCC1CCOC1c1ccccc1)NC1CCCCC1CO
InChIInChI=1S/C19H28N2O3/c22-13-16-8-4-5-9-17(16)21-19(23)20-12-15-10-11-24-18(15)14-6-2-1-3-7-14/h1-3,6-7,15-18,22H,4-5,8-13H2,(H2,20,21,23)
InChIKeyIWVOOFYBSRCFEB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.61
Rot. Bonds5

About 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea

1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea (PubChem CID 71864345) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
PubChem CID71864345
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea
SMILESO=C(NCC1CCOC1c1ccccc1)NC1CCCCC1CO
InChIInChI=1S/C19H28N2O3/c22-13-16-8-4-5-9-17(16)21-19(23)20-12-15-10-11-24-18(15)14-6-2-1-3-7-14/h1-3,6-7,15-18,22H,4-5,8-13H2,(H2,20,21,23)
InChIKeyIWVOOFYBSRCFEB-UHFFFAOYSA-N
XLogP2.61
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea with MolForge

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Related Compounds

1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
1-(1,2-oxazol-3-ylmethyl)-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129000845
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
4-cyclopentyloxy-N-[(2-phenyloxan-3-yl)methyl]benzamide
CID 86843823

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea (CID 71864345) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea is O=C(NCC1CCOC1c1ccccc1)NC1CCCCC1CO.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea?
The InChIKey is IWVOOFYBSRCFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-13-16-8-4-5-9-17(16)21-19(23)20-12-15-10-11-24-18(15)14-6-2-1-3-7-14/h1-3,6-7,15-18,22H,4-5,8-13H2,(H2,20,21,23).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea has a molecular weight of 332.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-phenyloxolan-3-yl)methyl]urea is sourced from PubChem (CID 71864345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).