N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide

C28H34N2O — CID 143173851

IUPACN-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide
SMILESCCCC(CC)N(C)Cc1ccc(NC(=O)c2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C28H34N2O/c1-5-8-27(6-2)30(4)20-22-13-17-26(18-14-22)29-28(31)25-10-7-9-24(19-25)23-15-11-21(3)12-16-23/h7,9-19,27H,5-6,8,20H2,1-4H3,(H,29,31)
InChIKeyUEYIQUALLGORKF-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.92
Rot. Bonds9

About N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide

N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide (PubChem CID 143173851) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide
PubChem CID143173851
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide
SMILESCCCC(CC)N(C)Cc1ccc(NC(=O)c2cccc(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C28H34N2O/c1-5-8-27(6-2)30(4)20-22-13-17-26(18-14-22)29-28(31)25-10-7-9-24(19-25)23-15-11-21(3)12-16-23/h7,9-19,27H,5-6,8,20H2,1-4H3,(H,29,31)
InChIKeyUEYIQUALLGORKF-UHFFFAOYSA-N
XLogP6.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
dimethyl-[[4-[[3-(4-methylphenyl)benzoyl]amino]phenyl]methyl]-(oxan-4-yl)azanium iodide
CID 118914134
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
N-ethyl-N-methyl-3-(4-methylphenyl)benzamide
CID 145356700

Frequently Asked Questions

What is the IUPAC name of N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide?
The IUPAC name of N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide (CID 143173851) is N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide?
The canonical SMILES for N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide is CCCC(CC)N(C)Cc1ccc(NC(=O)c2cccc(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide?
The InChIKey is UEYIQUALLGORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-5-8-27(6-2)30(4)20-22-13-17-26(18-14-22)29-28(31)25-10-7-9-24(19-25)23-15-11-21(3)12-16-23/h7,9-19,27H,5-6,8,20H2,1-4H3,(H,29,31).
What are the key properties of N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide?
N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide has a molecular weight of 414.59 g/mol, XLogP of 6.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[hexan-3-yl(methyl)amino]methyl]phenyl]-3-(4-methylphenyl)benzamide is sourced from PubChem (CID 143173851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).