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

C16H26N2O3 — CID 111751180

IUPAC1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C16H26N2O3/c1-11-9-16(2,3)7-6-12(11)18-15(20)17-10-13(19)14-5-4-8-21-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyMPPRNIGTQSMIRW-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.83
Rot. Bonds4

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

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea (PubChem CID 111751180) 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-(2,4,4-trimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
PubChem CID111751180
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea
SMILESCC1CC(C)(C)CCC1NC(=O)NCC(O)c1ccco1
InChIInChI=1S/C16H26N2O3/c1-11-9-16(2,3)7-6-12(11)18-15(20)17-10-13(19)14-5-4-8-21-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyMPPRNIGTQSMIRW-UHFFFAOYSA-N
XLogP2.83
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-propylcyclohexyl)urea
CID 110904027
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-methylpyrrolidine-2-carboxamide
CID 110011674
1-[(2-cyano-4-pyridinyl)methyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 168892618
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110904109
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
1-(3-cyclopentylpropyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110893601
1-[4-(1-adamantyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 78874508
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
2-[(2,3-dimethylcyclohexyl)amino]-1-(furan-2-yl)ethanol
CID 55025032
1-[2-(dimethylsulfamoylamino)ethyl]-3-(2,4,4-trimethylcyclohexyl)urea
CID 167803517
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The IUPAC name of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea (CID 111751180) is 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The canonical SMILES for 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea is CC1CC(C)(C)CCC1NC(=O)NCC(O)c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
The InChIKey is MPPRNIGTQSMIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-9-16(2,3)7-6-12(11)18-15(20)17-10-13(19)14-5-4-8-21-14/h4-5,8,11-13,19H,6-7,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea?
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2,4,4-trimethylcyclohexyl)urea has a molecular weight of 294.39 g/mol, XLogP of 2.83, 4 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-(2,4,4-trimethylcyclohexyl)urea is sourced from PubChem (CID 111751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).