3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide

C16H24N2O2 — CID 115510410

IUPAC3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1ccc2c(c1)CC(NCCC(=O)N(C)C)CC2
InChIInChI=1S/C16H24N2O2/c1-18(2)16(19)8-9-17-14-6-4-12-5-7-15(20-3)11-13(12)10-14/h5,7,11,14,17H,4,6,8-10H2,1-3H3
InChIKeyGDKLGTIPEKZYHK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.62
Rot. Bonds5

About 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide

3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide (PubChem CID 115510410) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
PubChem CID115510410
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide
SMILESCOc1ccc2c(c1)CC(NCCC(=O)N(C)C)CC2
InChIInChI=1S/C16H24N2O2/c1-18(2)16(19)8-9-17-14-6-4-12-5-7-15(20-3)11-13(12)10-14/h5,7,11,14,17H,4,6,8-10H2,1-3H3
InChIKeyGDKLGTIPEKZYHK-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide (CID 115510410) is 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide is COc1ccc2c(c1)CC(NCCC(=O)N(C)C)CC2.
What is the InChIKey of 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is GDKLGTIPEKZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)16(19)8-9-17-14-6-4-12-5-7-15(20-3)11-13(12)10-14/h5,7,11,14,17H,4,6,8-10H2,1-3H3.
What are the key properties of 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide?
3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 115510410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).