[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone

C24H31NO — CID 14943411

IUPAC[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C
InChIInChI=1S/C24H31NO/c1-4-16-25(17-5-2)22-15-14-19-12-9-13-21(23(19)18(22)3)24(26)20-10-7-6-8-11-20/h6-13,18,22H,4-5,14-17H2,1-3H3/t18-,22-/m0/s1
InChIKeyHOZLVWGBFHBKCK-AVRDEDQJSA-N
MW349.52 g/mol
LogP5.46
Rot. Bonds7

About [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone

[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone (PubChem CID 14943411) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone
PubChem CID14943411
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone
SMILESCCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C
InChIInChI=1S/C24H31NO/c1-4-16-25(17-5-2)22-15-14-19-12-9-13-21(23(19)18(22)3)24(26)20-10-7-6-8-11-20/h6-13,18,22H,4-5,14-17H2,1-3H3/t18-,22-/m0/s1
InChIKeyHOZLVWGBFHBKCK-AVRDEDQJSA-N
XLogP5.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone?
The IUPAC name of [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone (CID 14943411) is [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone.
What is the SMILES notation for [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone?
The canonical SMILES for [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone is CCCN(CCC)[C@H]1CCc2cccc(C(=O)c3ccccc3)c2[C@H]1C.
What is the InChIKey of [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone?
The InChIKey is HOZLVWGBFHBKCK-AVRDEDQJSA-N. The full InChI is InChI=1S/C24H31NO/c1-4-16-25(17-5-2)22-15-14-19-12-9-13-21(23(19)18(22)3)24(26)20-10-7-6-8-11-20/h6-13,18,22H,4-5,14-17H2,1-3H3/t18-,22-/m0/s1.
What are the key properties of [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone?
[(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone has a molecular weight of 349.52 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,8R)-7-(dipropylamino)-8-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]-phenylmethanone is sourced from PubChem (CID 14943411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).