2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide

C13H18N2O2 — CID 70287298

IUPAC2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCN(C)c1ccc2c(c1)C(CC(N)=O)CCO2
InChIInChI=1S/C13H18N2O2/c1-15(2)10-3-4-12-11(8-10)9(5-6-17-12)7-13(14)16/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)
InChIKeyFBONIUNDAQXGFR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.49
Rot. Bonds3

About 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide

2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 70287298) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID70287298
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCN(C)c1ccc2c(c1)C(CC(N)=O)CCO2
InChIInChI=1S/C13H18N2O2/c1-15(2)10-3-4-12-11(8-10)9(5-6-17-12)7-13(14)16/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16)
InChIKeyFBONIUNDAQXGFR-UHFFFAOYSA-N
XLogP1.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-[(4R)-7-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetaldehyde
CID 42597497
2-[(4S)-7-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetaldehyde
CID 134963335
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
CID 82083096
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
ethyl 2-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)acetate
CID 14330292
4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105460519
N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 82086564
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 82075648
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 70287298) is 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide is CN(C)c1ccc2c(c1)C(CC(N)=O)CCO2.
What is the InChIKey of 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is FBONIUNDAQXGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)10-3-4-12-11(8-10)9(5-6-17-12)7-13(14)16/h3-4,8-9H,5-7H2,1-2H3,(H2,14,16).
What are the key properties of 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide?
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 70287298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).