1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea

C16H26N2O2 — CID 86849465

IUPAC1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
SMILESCCC1CCC(CNC(=O)NC(C)c2ccco2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-13-6-8-14(9-7-13)11-17-16(19)18-12(2)15-5-4-10-20-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyDXFHGMDSRJHYNZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.86
Rot. Bonds5

About 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea

1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea (PubChem CID 86849465) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
PubChem CID86849465
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
SMILESCCC1CCC(CNC(=O)NC(C)c2ccco2)CC1
InChIInChI=1S/C16H26N2O2/c1-3-13-6-8-14(9-7-13)11-17-16(19)18-12(2)15-5-4-10-20-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H2,17,18,19)
InChIKeyDXFHGMDSRJHYNZ-UHFFFAOYSA-N
XLogP3.86
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3-propylurea
CID 110748894
1-butyl-3-[1-(furan-2-yl)ethyl]urea
CID 47113388
4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511419
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea (CID 86849465) is 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea is CCC1CCC(CNC(=O)NC(C)c2ccco2)CC1.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea?
The InChIKey is DXFHGMDSRJHYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-13-6-8-14(9-7-13)11-17-16(19)18-12(2)15-5-4-10-20-15/h4-5,10,12-14H,3,6-9,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea?
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea has a molecular weight of 278.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 86849465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).