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

C14H22N2O3 — CID 146083195

IUPAC1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
SMILESCC(c1ccco1)N(C)C(=O)NCC1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11(13-4-3-7-19-13)16(2)14(17)15-10-12-5-8-18-9-6-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17)
InChIKeyQOKWKMKZDCXUGD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.41
Rot. Bonds4

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

1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea (PubChem CID 146083195) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
PubChem CID146083195
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea
SMILESCC(c1ccco1)N(C)C(=O)NCC1CCOCC1
InChIInChI=1S/C14H22N2O3/c1-11(13-4-3-7-19-13)16(2)14(17)15-10-12-5-8-18-9-6-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17)
InChIKeyQOKWKMKZDCXUGD-UHFFFAOYSA-N
XLogP2.41
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
CID 111459237
3-[(1R,6R,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl]-1-[(1R)-1-(furan-2-yl)ethyl]-1-methylurea
CID 124865919
1-[(4-ethylcyclohexyl)methyl]-3-[1-(furan-2-yl)ethyl]urea
CID 86849465
1-cyclohexyl-1-methyl-3-(oxan-4-ylmethyl)urea
CID 108912761
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048851
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea (CID 146083195) is 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea is CC(c1ccco1)N(C)C(=O)NCC1CCOCC1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea?
The InChIKey is QOKWKMKZDCXUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(13-4-3-7-19-13)16(2)14(17)15-10-12-5-8-18-9-6-12/h3-4,7,11-12H,5-6,8-10H2,1-2H3,(H,15,17).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea?
1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethyl]-1-methyl-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 146083195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).