(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide

C18H23NO4 — CID 94486629

IUPAC(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
SMILESCCCN(C(=O)[C@H]1COCCO1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C18H23NO4/c1-3-8-19(18(20)17-12-21-9-10-22-17)13(2)16-11-14-6-4-5-7-15(14)23-16/h4-7,11,13,17H,3,8-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyMZYHIHGAUUBBPW-CXAGYDPISA-N
MW317.38 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide

(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide (PubChem CID 94486629) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
PubChem CID94486629
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
SMILESCCCN(C(=O)[C@H]1COCCO1)[C@H](C)c1cc2ccccc2o1
InChIInChI=1S/C18H23NO4/c1-3-8-19(18(20)17-12-21-9-10-22-17)13(2)16-11-14-6-4-5-7-15(14)23-16/h4-7,11,13,17H,3,8-10,12H2,1-2H3/t13-,17-/m1/s1
InChIKeyMZYHIHGAUUBBPW-CXAGYDPISA-N
XLogP3.15
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
(3S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propylpiperidine-3-carboxamide
CID 94486704
N-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
(2S)-2-[benzyl-[(2S)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 129468489
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119750740
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide (CID 94486629) is (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide is CCCN(C(=O)[C@H]1COCCO1)[C@H](C)c1cc2ccccc2o1.
What is the InChIKey of (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide?
The InChIKey is MZYHIHGAUUBBPW-CXAGYDPISA-N. The full InChI is InChI=1S/C18H23NO4/c1-3-8-19(18(20)17-12-21-9-10-22-17)13(2)16-11-14-6-4-5-7-15(14)23-16/h4-7,11,13,17H,3,8-10,12H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide?
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94486629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).