N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide

C19H21N3O5 — CID 166691810

IUPACN-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=CC(CC1CCNCC1=O)NC(=O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O5/c23-11-14(7-12-5-6-20-9-15(12)24)22-18(25)10-21-19(26)17-8-13-3-1-2-4-16(13)27-17/h1-4,8,11-12,14,20H,5-7,9-10H2,(H,21,26)(H,22,25)
InChIKeyNGDMIUIIQFUYIM-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.41
Rot. Bonds7

About N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide

N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 166691810) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID166691810
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide
SMILESO=CC(CC1CCNCC1=O)NC(=O)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C19H21N3O5/c23-11-14(7-12-5-6-20-9-15(12)24)22-18(25)10-21-19(26)17-8-13-3-1-2-4-16(13)27-17/h1-4,8,11-12,14,20H,5-7,9-10H2,(H,21,26)(H,22,25)
InChIKeyNGDMIUIIQFUYIM-UHFFFAOYSA-N
XLogP0.41
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide (CID 166691810) is N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide is O=CC(CC1CCNCC1=O)NC(=O)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NGDMIUIIQFUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-11-14(7-12-5-6-20-9-15(12)24)22-18(25)10-21-19(26)17-8-13-3-1-2-4-16(13)27-17/h1-4,8,11-12,14,20H,5-7,9-10H2,(H,21,26)(H,22,25).
What are the key properties of N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide?
N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[1-oxo-3-(3-oxopiperidin-4-yl)propan-2-yl]amino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166691810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).