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

C15H22N2O2 — CID 115154596

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)CN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-15(2,10-16)14(18)17(3)12-6-7-13-11(9-12)5-4-8-19-13/h6-7,9H,4-5,8,10,16H2,1-3H3
InChIKeyHRWVMOBWDYSHDI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds3

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

3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide (PubChem CID 115154596) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
PubChem CID115154596
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)CN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H22N2O2/c1-15(2,10-16)14(18)17(3)12-6-7-13-11(9-12)5-4-8-19-13/h6-7,9H,4-5,8,10,16H2,1-3H3
InChIKeyHRWVMOBWDYSHDI-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-dimethylpropanamide
CID 115153584
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylbutanamide
CID 115155987
N-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(methylamino)acetamide
CID 82496343
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
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
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide (CID 115154596) is 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)CN)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide?
The InChIKey is HRWVMOBWDYSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,10-16)14(18)17(3)12-6-7-13-11(9-12)5-4-8-19-13/h6-7,9H,4-5,8,10,16H2,1-3H3.
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide?
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2,2-trimethylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.96, 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,2,2-trimethylpropanamide is sourced from PubChem (CID 115154596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).