N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide

C27H30N2O — CID 23593474

IUPACN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C27H30N2O/c1-19-4-7-21(8-5-19)22-10-12-23(13-11-22)27(30)28-26-15-14-24-16-20(18-29(2)3)6-9-25(24)17-26/h4-5,7-8,10-15,17,20H,6,9,16,18H2,1-3H3,(H,28,30)
InChIKeyLZYYQXOPZXIZAG-UHFFFAOYSA-N
MW398.55 g/mol
LogP5.58
Rot. Bonds5

About N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide

N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide (PubChem CID 23593474) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide
PubChem CID23593474
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C27H30N2O/c1-19-4-7-21(8-5-19)22-10-12-23(13-11-22)27(30)28-26-15-14-24-16-20(18-29(2)3)6-9-25(24)17-26/h4-5,7-8,10-15,17,20H,6,9,16,18H2,1-3H3,(H,28,30)
InChIKeyLZYYQXOPZXIZAG-UHFFFAOYSA-N
XLogP5.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide (CID 23593474) is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1.
What is the InChIKey of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide?
The InChIKey is LZYYQXOPZXIZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O/c1-19-4-7-21(8-5-19)22-10-12-23(13-11-22)27(30)28-26-15-14-24-16-20(18-29(2)3)6-9-25(24)17-26/h4-5,7-8,10-15,17,20H,6,9,16,18H2,1-3H3,(H,28,30).
What are the key properties of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide?
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide has a molecular weight of 398.55 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-methylphenyl)benzamide is sourced from PubChem (CID 23593474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).