(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

C18H24N2O4 — CID 51938312

IUPAC(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCOc2cccc3c2OC(C)(C)C3)CC1=O
InChIInChI=1S/C18H24N2O4/c1-18(2)10-12-5-4-6-14(16(12)24-18)23-8-7-19-17(22)13-9-15(21)20(3)11-13/h4-6,13H,7-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyICRSOHRGODMVQS-CYBMUJFWSA-N
MW332.40 g/mol
LogP1.37
Rot. Bonds5

About (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 51938312) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID51938312
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NCCOc2cccc3c2OC(C)(C)C3)CC1=O
InChIInChI=1S/C18H24N2O4/c1-18(2)10-12-5-4-6-14(16(12)24-18)23-8-7-19-17(22)13-9-15(21)20(3)11-13/h4-6,13H,7-11H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyICRSOHRGODMVQS-CYBMUJFWSA-N
XLogP1.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 32600877
(3S)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51938314
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46575837
1-(3,5-dimethoxybenzoyl)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]piperidine-4-carboxamide
CID 55719041
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55791758
3-(carbamoylamino)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]propanamide
CID 47031231
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55614868
3-cyano-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]benzamide
CID 31825043
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-N',N'-dipropylpentanediamide
CID 56540773
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55614893

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 51938312) is (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NCCOc2cccc3c2OC(C)(C)C3)CC1=O.
What is the InChIKey of (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ICRSOHRGODMVQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2)10-12-5-4-6-14(16(12)24-18)23-8-7-19-17(22)13-9-15(21)20(3)11-13/h4-6,13H,7-11H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).