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

C14H19NO3 — CID 115178677

IUPACN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO3/c1-14(2,17)13(16)15(3)11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyXCCLPZAVGAANJI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds2

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

N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide (PubChem CID 115178677) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
PubChem CID115178677
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H19NO3/c1-14(2,17)13(16)15(3)11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyXCCLPZAVGAANJI-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
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-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide (CID 115178677) is N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide is CN(C(=O)C(C)(C)O)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
The InChIKey is XCCLPZAVGAANJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,17)13(16)15(3)11-6-7-12-10(9-11)5-4-8-18-12/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide?
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.75, 2 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-hydroxy-N,2-dimethylpropanamide is sourced from PubChem (CID 115178677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).