N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide

C17H17NO3 — CID 110726178

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO3/c19-17(12-21-15-6-2-1-3-7-15)18-14-8-9-16-13(11-14)5-4-10-20-16/h1-3,6-9,11H,4-5,10,12H2,(H,18,19)
InChIKeyNNWPPTQAZUUIRZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.03
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide

N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide (PubChem CID 110726178) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
PubChem CID110726178
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO3/c19-17(12-21-15-6-2-1-3-7-15)18-14-8-9-16-13(11-14)5-4-10-20-16/h1-3,6-9,11H,4-5,10,12H2,(H,18,19)
InChIKeyNNWPPTQAZUUIRZ-UHFFFAOYSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-methoxyphenoxy)acetamide
CID 17439785
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
CID 115193294
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-ethylphenoxy)acetamide
CID 26712228
N-(4-ethyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826908
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-phenoxyacetamide
CID 110639900
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 31184797
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenoxyacetamide
CID 18571268

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide (CID 110726178) is N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide?
The InChIKey is NNWPPTQAZUUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(12-21-15-6-2-1-3-7-15)18-14-8-9-16-13(11-14)5-4-10-20-16/h1-3,6-9,11H,4-5,10,12H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide?
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide has a molecular weight of 283.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide is sourced from PubChem (CID 110726178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).