[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate

C16H15N3O7 — CID 7832941

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccco1
InChIInChI=1S/C16H15N3O7/c20-14(18-16(22)17-9-12-5-3-7-25-12)10-26-15(21)8-11-4-1-2-6-13(11)19(23)24/h1-7H,8-10H2,(H2,17,18,20,22)
InChIKeyOTCPGHYIMZZLBH-UHFFFAOYSA-N
MW361.31 g/mol
LogP1.30
Rot. Bonds7

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (PubChem CID 7832941) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
PubChem CID7832941
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESO=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccco1
InChIInChI=1S/C16H15N3O7/c20-14(18-16(22)17-9-12-5-3-7-25-12)10-26-15(21)8-11-4-1-2-6-13(11)19(23)24/h1-7H,8-10H2,(H2,17,18,20,22)
InChIKeyOTCPGHYIMZZLBH-UHFFFAOYSA-N
XLogP1.30
TPSA140.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 5-methylsulfanyl-2-nitrobenzoate
CID 27004830
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525187
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2675467
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2-nitrophenyl)acetate
CID 7832920
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate (CID 7832941) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate is O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The InChIKey is OTCPGHYIMZZLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7/c20-14(18-16(22)17-9-12-5-3-7-25-12)10-26-15(21)8-11-4-1-2-6-13(11)19(23)24/h1-7H,8-10H2,(H2,17,18,20,22).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate has a molecular weight of 361.31 g/mol, XLogP of 1.30, 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] 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 7832941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).