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

C13H18N2O2 — CID 82496343

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c1-14-9-13(16)15(2)11-5-6-12-10(8-11)4-3-7-17-12/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyXKKMPDOLEXKFTB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.19
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide (PubChem CID 82496343) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
PubChem CID82496343
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c1-14-9-13(16)15(2)11-5-6-12-10(8-11)4-3-7-17-12/h5-6,8,14H,3-4,7,9H2,1-2H3
InChIKeyXKKMPDOLEXKFTB-UHFFFAOYSA-N
XLogP1.19
TPSA41.57 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
1-(3,4-dihydro-2H-chromen-6-yl)-3-(methylamino)propan-1-one
CID 82493834
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-(3,4-dimethylphenyl)-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119741824

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide (CID 82496343) is N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide?
The InChIKey is XKKMPDOLEXKFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-9-13(16)15(2)11-5-6-12-10(8-11)4-3-7-17-12/h5-6,8,14H,3-4,7,9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide?
N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.19, 3 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)-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 82496343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).