1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea

C12H20N2O3 — CID 4238686

IUPAC1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)N(C)C
InChIInChI=1S/C12H20N2O3/c1-10-5-6-11(17-10)9-14(7-8-16-4)12(15)13(2)3/h5-6H,7-9H2,1-4H3
InChIKeyBSMSEBWXVZDBPU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.72
Rot. Bonds5

About 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea

1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 4238686) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID4238686
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCOCCN(Cc1ccc(C)o1)C(=O)N(C)C
InChIInChI=1S/C12H20N2O3/c1-10-5-6-11(17-10)9-14(7-8-16-4)12(15)13(2)3/h5-6H,7-9H2,1-4H3
InChIKeyBSMSEBWXVZDBPU-UHFFFAOYSA-N
XLogP1.72
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 3882072
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 122144144
3-chloro-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 5138156
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
4-bromo-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3982062
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
2-(2-aminoethoxy)-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 79474044
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3478326
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4274303

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 4238686) is 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea is COCCN(Cc1ccc(C)o1)C(=O)N(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is BSMSEBWXVZDBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10-5-6-11(17-10)9-14(7-8-16-4)12(15)13(2)3/h5-6H,7-9H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea?
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 240.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 4238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).