N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide

C28H34N2O — CID 166850502

IUPACN-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
SMILESCc1ccccc1Cc1ccc(CCCC(=O)NCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C28H34N2O/c1-23-9-6-7-13-27(23)21-25-17-15-24(16-18-25)12-8-14-28(31)29-19-20-30(2)22-26-10-4-3-5-11-26/h3-7,9-11,13,15-18H,8,12,14,19-22H2,1-2H3,(H,29,31)
InChIKeySTZMFOIBPXCTFZ-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.16
Rot. Bonds11

About N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide

N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide (PubChem CID 166850502) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
PubChem CID166850502
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide
SMILESCc1ccccc1Cc1ccc(CCCC(=O)NCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C28H34N2O/c1-23-9-6-7-13-27(23)21-25-17-15-24(16-18-25)12-8-14-28(31)29-19-20-30(2)22-26-10-4-3-5-11-26/h3-7,9-11,13,15-18H,8,12,14,19-22H2,1-2H3,(H,29,31)
InChIKeySTZMFOIBPXCTFZ-UHFFFAOYSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-5-phenylpentanamide
CID 118398399
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CID 109020589
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-(methylamino)butanamide
CID 119896354
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide (CID 166850502) is N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide is Cc1ccccc1Cc1ccc(CCCC(=O)NCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide?
The InChIKey is STZMFOIBPXCTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-23-9-6-7-13-27(23)21-25-17-15-24(16-18-25)12-8-14-28(31)29-19-20-30(2)22-26-10-4-3-5-11-26/h3-7,9-11,13,15-18H,8,12,14,19-22H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide?
N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide has a molecular weight of 414.59 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-4-[4-[(2-methylphenyl)methyl]phenyl]butanamide is sourced from PubChem (CID 166850502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).