2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

C15H20N2O2 — CID 116675622

IUPAC2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)C1CNC1
InChIInChI=1S/C15H20N2O2/c1-10(11-8-16-9-11)15(18)17-13-6-7-19-14-5-3-2-4-12(13)14/h2-5,10-11,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyYTIMVCSQBQJNRC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide

2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (PubChem CID 116675622) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
PubChem CID116675622
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
SMILESCC(C(=O)NC1CCOc2ccccc21)C1CNC1
InChIInChI=1S/C15H20N2O2/c1-10(11-8-16-9-11)15(18)17-13-6-7-19-14-5-3-2-4-12(13)14/h2-5,10-11,13,16H,6-9H2,1H3,(H,17,18)
InChIKeyYTIMVCSQBQJNRC-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
2-carbamothioyl-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 62365398
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
N-(3,4-dihydro-2H-chromen-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077858

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide (CID 116675622) is 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is CC(C(=O)NC1CCOc2ccccc21)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
The InChIKey is YTIMVCSQBQJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(11-8-16-9-11)15(18)17-13-6-7-19-14-5-3-2-4-12(13)14/h2-5,10-11,13,16H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide?
2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(3,4-dihydro-2H-chromen-4-yl)propanamide is sourced from PubChem (CID 116675622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).