1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea

C16H17N3O3 — CID 71865827

IUPAC1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
SMILESCOCC(NC(=O)Nc1cccc2[nH]ccc12)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-21-10-14(15-6-3-9-22-15)19-16(20)18-13-5-2-4-12-11(13)7-8-17-12/h2-9,14,17H,10H2,1H3,(H2,18,19,20)
InChIKeyKNODACZXZKOBLJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.27
Rot. Bonds5

About 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea

1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea (PubChem CID 71865827) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
PubChem CID71865827
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea
SMILESCOCC(NC(=O)Nc1cccc2[nH]ccc12)c1ccco1
InChIInChI=1S/C16H17N3O3/c1-21-10-14(15-6-3-9-22-15)19-16(20)18-13-5-2-4-12-11(13)7-8-17-12/h2-9,14,17H,10H2,1H3,(H2,18,19,20)
InChIKeyKNODACZXZKOBLJ-UHFFFAOYSA-N
XLogP3.27
TPSA79.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)-5-fluorophenyl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 97062764
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4-hydroxycyclohexyl)urea
CID 111566418
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 71982872
1-(1-ethylpyrazol-4-yl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 71865843
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 97009408
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111566530
1-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999591
1-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-3-[(1R)-1-(furan-2-yl)-2-methoxyethyl]urea
CID 96999589
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea?
The IUPAC name of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea (CID 71865827) is 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea.
What is the SMILES notation for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea?
The canonical SMILES for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea is COCC(NC(=O)Nc1cccc2[nH]ccc12)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea?
The InChIKey is KNODACZXZKOBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-10-14(15-6-3-9-22-15)19-16(20)18-13-5-2-4-12-11(13)7-8-17-12/h2-9,14,17H,10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea?
1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea has a molecular weight of 299.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-2-methoxyethyl]-3-(1H-indol-4-yl)urea is sourced from PubChem (CID 71865827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).