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

C29H34N2O — CID 23593472

IUPACN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C29H34N2O/c1-4-5-21-6-9-23(10-7-21)24-12-14-25(15-13-24)29(32)30-28-17-16-26-18-22(20-31(2)3)8-11-27(26)19-28/h6-7,9-10,12-17,19,22H,4-5,8,11,18,20H2,1-3H3,(H,30,32)
InChIKeyGLGPWCKZXKIUPZ-UHFFFAOYSA-N
MW426.60 g/mol
LogP6.22
Rot. Bonds7

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

N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide (PubChem CID 23593472) has the molecular formula C29H34N2O and a molecular weight of 426.60 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide
PubChem CID23593472
Molecular FormulaC29H34N2O
Molecular Weight426.60 g/mol
Exact Mass426.27
IUPAC NameN-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide
SMILESCCCc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)CCC(CN(C)C)C4)cc2)cc1
InChIInChI=1S/C29H34N2O/c1-4-5-21-6-9-23(10-7-21)24-12-14-25(15-13-24)29(32)30-28-17-16-26-18-22(20-31(2)3)8-11-27(26)19-28/h6-7,9-10,12-17,19,22H,4-5,8,11,18,20H2,1-3H3,(H,30,32)
InChIKeyGLGPWCKZXKIUPZ-UHFFFAOYSA-N
XLogP6.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.60
LogP ≤ 56.22
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-propylphenyl)benzamide?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide (CID 23593472) is N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide is CCCc1ccc(-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-propylphenyl)benzamide?
The InChIKey is GLGPWCKZXKIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O/c1-4-5-21-6-9-23(10-7-21)24-12-14-25(15-13-24)29(32)30-28-17-16-26-18-22(20-31(2)3)8-11-27(26)19-28/h6-7,9-10,12-17,19,22H,4-5,8,11,18,20H2,1-3H3,(H,30,32).
What are the key properties of N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide?
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide has a molecular weight of 426.60 g/mol, XLogP of 6.22, 7 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-propylphenyl)benzamide is sourced from PubChem (CID 23593472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).