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

C28H32N2O — CID 23593468

IUPACN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-4-20-5-8-22(9-6-20)23-11-13-24(14-12-23)28(31)29-27-16-15-25-17-21(19-30(2)3)7-10-26(25)18-27/h5-6,8-9,11-16,18,21H,4,7,10,17,19H2,1-3H3,(H,29,31)
InChIKeyIOHAOIFSDVOIOB-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.83
Rot. Bonds6

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

N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide (PubChem CID 23593468) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide
PubChem CID23593468
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide
SMILESCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-4-20-5-8-22(9-6-20)23-11-13-24(14-12-23)28(31)29-27-16-15-25-17-21(19-30(2)3)7-10-26(25)18-27/h5-6,8-9,11-16,18,21H,4,7,10,17,19H2,1-3H3,(H,29,31)
InChIKeyIOHAOIFSDVOIOB-UHFFFAOYSA-N
XLogP5.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide 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 N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide (CID 23593468) is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide is CCc1ccc(-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-ethylphenyl)benzamide?
The InChIKey is IOHAOIFSDVOIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-4-20-5-8-22(9-6-20)23-11-13-24(14-12-23)28(31)29-27-16-15-25-17-21(19-30(2)3)7-10-26(25)18-27/h5-6,8-9,11-16,18,21H,4,7,10,17,19H2,1-3H3,(H,29,31).
What are the key properties of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide?
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-ethylphenyl)benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.83, 6 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-ethylphenyl)benzamide is sourced from PubChem (CID 23593468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).