1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea

C20H28N2O3 — CID 98849858

IUPAC1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
SMILESO=C(NCc1cccc(COC2CCCC2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C20H28N2O3/c23-20(22-18-11-17-8-9-19(18)25-17)21-12-14-4-3-5-15(10-14)13-24-16-6-1-2-7-16/h3-5,10,16-19H,1-2,6-9,11-13H2,(H2,21,22,23)/t17-,18-,19-/m1/s1
InChIKeyRVRZPVYMBOMMDR-GUDVDZBRSA-N
MW344.45 g/mol
LogP3.26
Rot. Bonds6

About 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea

1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea (PubChem CID 98849858) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea.

Molecular Properties

Compound Name1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
PubChem CID98849858
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
SMILESO=C(NCc1cccc(COC2CCCC2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2
InChIInChI=1S/C20H28N2O3/c23-20(22-18-11-17-8-9-19(18)25-17)21-12-14-4-3-5-15(10-14)13-24-16-6-1-2-7-16/h3-5,10,16-19H,1-2,6-9,11-13H2,(H2,21,22,23)/t17-,18-,19-/m1/s1
InChIKeyRVRZPVYMBOMMDR-GUDVDZBRSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea with MolForge

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Related Compounds

1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 98873454
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[[4-(propylamino)phenyl]methyl]urea
CID 119039707
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 129378614
1-[(2-bromothiophen-3-yl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 124843904
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 98849989
1-[(1-hydroxycycloheptyl)methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129378688
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
2-[3-(cyclopentyloxymethyl)phenyl]acetaldehyde
CID 126676114
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The IUPAC name of 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea (CID 98849858) is 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea.
What is the SMILES notation for 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The canonical SMILES for 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea is O=C(NCc1cccc(COC2CCCC2)c1)N[C@@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
The InChIKey is RVRZPVYMBOMMDR-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-20(22-18-11-17-8-9-19(18)25-17)21-12-14-4-3-5-15(10-14)13-24-16-6-1-2-7-16/h3-5,10,16-19H,1-2,6-9,11-13H2,(H2,21,22,23)/t17-,18-,19-/m1/s1.
What are the key properties of 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea?
1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea has a molecular weight of 344.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea is sourced from PubChem (CID 98849858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).