N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide

C17H24N2O3 — CID 51087389

IUPACN-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C17H24N2O3/c1-10-6-12-13(7-17(2,3)8-14(12)22-10)19-15(20)9-18-16(21)11-4-5-11/h6,11,13H,4-5,7-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLDLDYFPRVZBTQD-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.24
Rot. Bonds4

About N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 51087389) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID51087389
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C17H24N2O3/c1-10-6-12-13(7-17(2,3)8-14(12)22-10)19-15(20)9-18-16(21)11-4-5-11/h6,11,13H,4-5,7-9H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyLDLDYFPRVZBTQD-UHFFFAOYSA-N
XLogP2.24
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 51087389) is N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CNC(=O)C1CC1.
What is the InChIKey of N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is LDLDYFPRVZBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-10-6-12-13(7-17(2,3)8-14(12)22-10)19-15(20)9-18-16(21)11-4-5-11/h6,11,13H,4-5,7-9H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51087389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).