1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone

C21H32N2O — CID 60585166

IUPAC1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
SMILESCCCN(CC(=O)N1CCCCCC1)C1CCc2ccccc2C1
InChIInChI=1S/C21H32N2O/c1-2-13-23(17-21(24)22-14-7-3-4-8-15-22)20-12-11-18-9-5-6-10-19(18)16-20/h5-6,9-10,20H,2-4,7-8,11-17H2,1H3
InChIKeyMSPZSSYCGNJHPX-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.66
Rot. Bonds5

About 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone

1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone (PubChem CID 60585166) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
PubChem CID60585166
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
SMILESCCCN(CC(=O)N1CCCCCC1)C1CCc2ccccc2C1
InChIInChI=1S/C21H32N2O/c1-2-13-23(17-21(24)22-14-7-3-4-8-15-22)20-12-11-18-9-5-6-10-19(18)16-20/h5-6,9-10,20H,2-4,7-8,11-17H2,1H3
InChIKeyMSPZSSYCGNJHPX-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone (CID 60585166) is 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone is CCCN(CC(=O)N1CCCCCC1)C1CCc2ccccc2C1.
What is the InChIKey of 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone?
The InChIKey is MSPZSSYCGNJHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-13-23(17-21(24)22-14-7-3-4-8-15-22)20-12-11-18-9-5-6-10-19(18)16-20/h5-6,9-10,20H,2-4,7-8,11-17H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone?
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone has a molecular weight of 328.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone is sourced from PubChem (CID 60585166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).