N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide

C15H21NO2 — CID 82086564

IUPACN-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCNC(=O)CC1CCOc2ccc(C(C)C)cc21
InChIInChI=1S/C15H21NO2/c1-10(2)11-4-5-14-13(8-11)12(6-7-18-14)9-15(17)16-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyJGJSPMWFMOAOCJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds3

About N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide

N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 82086564) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID82086564
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESCNC(=O)CC1CCOc2ccc(C(C)C)cc21
InChIInChI=1S/C15H21NO2/c1-10(2)11-4-5-14-13(8-11)12(6-7-18-14)9-15(17)16-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyJGJSPMWFMOAOCJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
(4R,5S)-4-amino-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 94985824
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methylpropanamide
CID 82174629
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484603
1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82243150
N-[6-(1-hydroxy-3-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]-2-methoxyacetamide
CID 82174698
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide (CID 82086564) is N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide is CNC(=O)CC1CCOc2ccc(C(C)C)cc21.
What is the InChIKey of N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is JGJSPMWFMOAOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)11-4-5-14-13(8-11)12(6-7-18-14)9-15(17)16-3/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide?
N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 82086564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).