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

C14H20N2O2 — CID 115153584

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-10(9-15)14(17)16(2)12-5-6-13-11(8-12)4-3-7-18-13/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeyKZCBNAQTTMZPJN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.57
Rot. Bonds3

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

3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide (PubChem CID 115153584) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
PubChem CID115153584
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
SMILESCC(CN)C(=O)N(C)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H20N2O2/c1-10(9-15)14(17)16(2)12-5-6-13-11(8-12)4-3-7-18-13/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKeyKZCBNAQTTMZPJN-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
CID 115154596
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
CID 82496343
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137444
3-amino-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 83535959
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
3-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropan-1-one
CID 116826629
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116849113

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide (CID 115153584) is 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide is CC(CN)C(=O)N(C)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide?
The InChIKey is KZCBNAQTTMZPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(9-15)14(17)16(2)12-5-6-13-11(8-12)4-3-7-18-13/h5-6,8,10H,3-4,7,9,15H2,1-2H3.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide?
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 115153584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).