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

C14H19BrN2O2 — CID 54935296

IUPAC3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H19BrN2O2/c1-17(2)14(18)5-7-16-12-6-8-19-13-4-3-10(15)9-11(12)13/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyUOEAYKFRWRWQGO-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.34
Rot. Bonds4

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

3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 54935296) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID54935296
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C14H19BrN2O2/c1-17(2)14(18)5-7-16-12-6-8-19-13-4-3-10(15)9-11(12)13/h3-4,9,12,16H,5-8H2,1-2H3
InChIKeyUOEAYKFRWRWQGO-UHFFFAOYSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide (CID 54935296) is 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is UOEAYKFRWRWQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17(2)14(18)5-7-16-12-6-8-19-13-4-3-10(15)9-11(12)13/h3-4,9,12,16H,5-8H2,1-2H3.
What are the key properties of 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide?
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 327.22 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54935296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).