3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

C22H30N2O4 — CID 86943873

IUPAC3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C22H30N2O4/c1-26-14-12-24(17-21-11-6-13-27-21)22(25)23-16-18-7-5-10-20(15-18)28-19-8-3-2-4-9-19/h5-7,10-11,13,15,19H,2-4,8-9,12,14,16-17H2,1H3,(H,23,25)
InChIKeyZGYGAZMBUSQETF-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.35
Rot. Bonds9

About 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 86943873) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID86943873
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C22H30N2O4/c1-26-14-12-24(17-21-11-6-13-27-21)22(25)23-16-18-7-5-10-20(15-18)28-19-8-3-2-4-9-19/h5-7,10-11,13,15,19H,2-4,8-9,12,14,16-17H2,1H3,(H,23,25)
InChIKeyZGYGAZMBUSQETF-UHFFFAOYSA-N
XLogP4.35
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]-3-(furan-2-yl)propanamide
CID 86941840
1-(3-cyclopentyloxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 39371016
N-benzyl-2-[benzylcarbamoyl(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5034332
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87008094
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
3-[[3-(difluoromethoxy)phenyl]methyl]-1-(furan-2-ylmethyl)-1-methylurea
CID 49480441

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (CID 86943873) is 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccco1)C(=O)NCc1cccc(OC2CCCCC2)c1.
What is the InChIKey of 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is ZGYGAZMBUSQETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-26-14-12-24(17-21-11-6-13-27-21)22(25)23-16-18-7-5-10-20(15-18)28-19-8-3-2-4-9-19/h5-7,10-11,13,15,19H,2-4,8-9,12,14,16-17H2,1H3,(H,23,25).
What are the key properties of 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 386.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 86943873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).