[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

C17H22N4O5 — CID 46673273

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H22N4O5/c1-11-14(12(2)21(3)20-11)6-7-16(23)26-10-15(22)19-17(24)18-9-13-5-4-8-25-13/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,19,22,24)
InChIKeyRNNPONFUMWQVBW-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.13
Rot. Bonds7

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (PubChem CID 46673273) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
PubChem CID46673273
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
SMILESCc1nn(C)c(C)c1CCC(=O)OCC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C17H22N4O5/c1-11-14(12(2)21(3)20-11)6-7-16(23)26-10-15(22)19-17(24)18-9-13-5-4-8-25-13/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,19,22,24)
InChIKeyRNNPONFUMWQVBW-UHFFFAOYSA-N
XLogP1.13
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33446336
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600442
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7790797
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
1-(furan-2-ylmethyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17282055
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(benzylcarbamoylamino)-2-oxoethyl] 3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 33447745
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 4273498
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate (CID 46673273) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is Cc1nn(C)c(C)c1CCC(=O)OCC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
The InChIKey is RNNPONFUMWQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-11-14(12(2)21(3)20-11)6-7-16(23)26-10-15(22)19-17(24)18-9-13-5-4-8-25-13/h4-5,8H,6-7,9-10H2,1-3H3,(H2,18,19,22,24).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate has a molecular weight of 362.39 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 46673273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).