1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

C18H24N2O4 — CID 51091264

IUPAC1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOCCOc1ccccc1CNC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)20-18(21)19-12-15-6-4-5-7-17(15)23-11-10-22-3/h4-9,14H,10-12H2,1-3H3,(H2,19,20,21)
InChIKeyNAAAITVPLMDNKH-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.17
Rot. Bonds8

About 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea

1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (PubChem CID 51091264) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
PubChem CID51091264
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
SMILESCOCCOc1ccccc1CNC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)20-18(21)19-12-15-6-4-5-7-17(15)23-11-10-22-3/h4-9,14H,10-12H2,1-3H3,(H2,19,20,21)
InChIKeyNAAAITVPLMDNKH-UHFFFAOYSA-N
XLogP3.17
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028469
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[(1R)-1-(5-methylfuran-2-yl)ethyl]urea
CID 94028479
methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
CID 51081982
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
CID 38152013
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
1-[(2-ethoxyphenyl)methyl]-3-propan-2-ylurea
CID 47375969
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[1-(3-chlorophenyl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457961
2-(2-chlorophenoxy)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187818
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 61222098
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94026735

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The IUPAC name of 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea (CID 51091264) is 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea.
What is the SMILES notation for 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The canonical SMILES for 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is COCCOc1ccccc1CNC(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
The InChIKey is NAAAITVPLMDNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-8-9-16(24-13)14(2)20-18(21)19-12-15-6-4-5-7-17(15)23-11-10-22-3/h4-9,14H,10-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea?
1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea has a molecular weight of 332.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea is sourced from PubChem (CID 51091264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).