ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate

C12H19N3O4 — CID 56781488

IUPACethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCc1ccoc1C
InChIInChI=1S/C12H19N3O4/c1-3-18-12(17)14-6-5-13-11(16)15-8-10-4-7-19-9(10)2/h4,7H,3,5-6,8H2,1-2H3,(H,14,17)(H2,13,15,16)
InChIKeyPZXQODQUMRCDEE-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.13
Rot. Bonds6

About ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate

ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate (PubChem CID 56781488) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate
PubChem CID56781488
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)NCc1ccoc1C
InChIInChI=1S/C12H19N3O4/c1-3-18-12(17)14-6-5-13-11(16)15-8-10-4-7-19-9(10)2/h4,7H,3,5-6,8H2,1-2H3,(H,14,17)(H2,13,15,16)
InChIKeyPZXQODQUMRCDEE-UHFFFAOYSA-N
XLogP1.13
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate (CID 56781488) is ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate is CCOC(=O)NCCNC(=O)NCc1ccoc1C.
What is the InChIKey of ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate?
The InChIKey is PZXQODQUMRCDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-18-12(17)14-6-5-13-11(16)15-8-10-4-7-19-9(10)2/h4,7H,3,5-6,8H2,1-2H3,(H,14,17)(H2,13,15,16).
What are the key properties of ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate?
ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate has a molecular weight of 269.30 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-methylfuran-3-yl)methylcarbamoylamino]ethyl]carbamate is sourced from PubChem (CID 56781488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).