2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

C19H23NO4 — CID 111481648

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC2CCOc3ccccc32)o1
InChIInChI=1S/C19H23NO4/c1-13-7-8-17(24-13)19(2,22)12-20-18(21)11-14-9-10-23-16-6-4-3-5-15(14)16/h3-8,14,22H,9-12H2,1-2H3,(H,20,21)
InChIKeyJIPCDXFNQYKWQE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.87
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide

2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (PubChem CID 111481648) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
PubChem CID111481648
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)(O)CNC(=O)CC2CCOc3ccccc32)o1
InChIInChI=1S/C19H23NO4/c1-13-7-8-17(24-13)19(2,22)12-20-18(21)11-14-9-10-23-16-6-4-3-5-15(14)16/h3-8,14,22H,9-12H2,1-2H3,(H,20,21)
InChIKeyJIPCDXFNQYKWQE-UHFFFAOYSA-N
XLogP2.87
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-(thian-4-ylmethyl)acetamide
CID 97214483
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
N-[4-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111481264
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methoxyacetamide
CID 111481021
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460132
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide (CID 111481648) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is Cc1ccc(C(C)(O)CNC(=O)CC2CCOc3ccccc32)o1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
The InChIKey is JIPCDXFNQYKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-7-8-17(24-13)19(2,22)12-20-18(21)11-14-9-10-23-16-6-4-3-5-15(14)16/h3-8,14,22H,9-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide?
2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide is sourced from PubChem (CID 111481648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).