N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide

C14H19N3O3 — CID 47172285

IUPACN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19N3O3/c1-10(18)15-6-7-16-14(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-5,12H,6-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyGOXVDISBELIARR-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.43
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide

N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide (PubChem CID 47172285) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide
PubChem CID47172285
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C14H19N3O3/c1-10(18)15-6-7-16-14(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-5,12H,6-9H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyGOXVDISBELIARR-UHFFFAOYSA-N
XLogP0.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide (CID 47172285) is N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide is CC(=O)NCCNC(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide?
The InChIKey is GOXVDISBELIARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(18)15-6-7-16-14(19)17-9-12-8-11-4-2-3-5-13(11)20-12/h2-5,12H,6-9H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide?
N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 47172285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).