2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide

C16H24N2O2 — CID 60693874

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-6-12(2)18-16(19)11-17-14-9-10-20-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3,(H,18,19)
InChIKeyQHMUYIQXBYUAIC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.40
Rot. Bonds6

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide (PubChem CID 60693874) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
PubChem CID60693874
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C16H24N2O2/c1-3-6-12(2)18-16(19)11-17-14-9-10-20-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3,(H,18,19)
InChIKeyQHMUYIQXBYUAIC-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylpropanamide
CID 60722358
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
1-(3,4-dihydro-2H-chromen-4-ylamino)butan-2-ol
CID 62365912
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide (CID 60693874) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide?
The InChIKey is QHMUYIQXBYUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-6-12(2)18-16(19)11-17-14-9-10-20-15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,3,6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60693874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).