1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea

C16H26N2O3 — CID 110904027

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea
SMILESCCCC1CCC(NC(=O)NCC(O)c2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c1-2-4-12-6-8-13(9-7-12)18-16(20)17-11-14(19)15-5-3-10-21-15/h3,5,10,12-14,19H,2,4,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyGXXOEDIXTHDHRY-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea (PubChem CID 110904027) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea
PubChem CID110904027
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea
SMILESCCCC1CCC(NC(=O)NCC(O)c2ccco2)CC1
InChIInChI=1S/C16H26N2O3/c1-2-4-12-6-8-13(9-7-12)18-16(20)17-11-14(19)15-5-3-10-21-15/h3,5,10,12-14,19H,2,4,6-9,11H2,1H3,(H2,17,18,20)
InChIKeyGXXOEDIXTHDHRY-UHFFFAOYSA-N
XLogP2.97
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874
4-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]cyclohexane-1-carboxamide
CID 90523741
1-(2-hydroxy-3-methoxypropyl)-3-(4-propylcyclohexyl)urea
CID 111426774
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 111751180
3-methyl-2-[[(4-propylcyclohexyl)carbamoylamino]methyl]butanoic acid
CID 65221396
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281
trans-(1R,2R)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 98793148

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea (CID 110904027) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea is CCCC1CCC(NC(=O)NCC(O)c2ccco2)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea?
The InChIKey is GXXOEDIXTHDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-4-12-6-8-13(9-7-12)18-16(20)17-11-14(19)15-5-3-10-21-15/h3,5,10,12-14,19H,2,4,6-9,11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea has a molecular weight of 294.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea is sourced from PubChem (CID 110904027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).