1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea

C10H16N2O2 — CID 115581572

IUPAC1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
SMILESCCN(Cc1ccco1)C(=O)N(C)C
InChIInChI=1S/C10H16N2O2/c1-4-12(10(13)11(2)3)8-9-6-5-7-14-9/h5-7H,4,8H2,1-3H3
InChIKeyDKWRSXPGMYROBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.78
Rot. Bonds3

About 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea

1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea (PubChem CID 115581572) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea.

Molecular Properties

Compound Name1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
PubChem CID115581572
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
SMILESCCN(Cc1ccco1)C(=O)N(C)C
InChIInChI=1S/C10H16N2O2/c1-4-12(10(13)11(2)3)8-9-6-5-7-14-9/h5-7H,4,8H2,1-3H3
InChIKeyDKWRSXPGMYROBY-UHFFFAOYSA-N
XLogP1.78
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853925
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
N-ethyl-N-(furan-2-ylmethyl)but-2-enamide
CID 112727369
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
N-ethyl-N-(furan-2-ylmethyl)ethanimidamide
CID 63172933
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea?
The IUPAC name of 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea (CID 115581572) is 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea.
What is the SMILES notation for 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea?
The canonical SMILES for 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea is CCN(Cc1ccco1)C(=O)N(C)C.
What is the InChIKey of 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea?
The InChIKey is DKWRSXPGMYROBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-12(10(13)11(2)3)8-9-6-5-7-14-9/h5-7H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea?
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea has a molecular weight of 196.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea is sourced from PubChem (CID 115581572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).