N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide

C27H32N2O — CID 42852735

IUPACN-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H32N2O/c1-27(2,3)24-14-10-22(11-15-24)19-28-25-16-12-21(13-17-25)18-26(30)29(4)20-23-8-6-5-7-9-23/h5-17,28H,18-20H2,1-4H3
InChIKeyCMVABBJWEVFKCL-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.80
Rot. Bonds7

About N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide

N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 42852735) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID42852735
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H32N2O/c1-27(2,3)24-14-10-22(11-15-24)19-28-25-16-12-21(13-17-25)18-26(30)29(4)20-23-8-6-5-7-9-23/h5-17,28H,18-20H2,1-4H3
InChIKeyCMVABBJWEVFKCL-UHFFFAOYSA-N
XLogP5.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
N-[(4-tert-butylphenyl)methyl]aniline
CID 15903167
N-benzyl-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107020688
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
CID 43056971
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-(4-acetamidoanilino)-N-benzyl-N-methylpropanamide
CID 109020498
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
CID 166195697
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-benzyl-N-methyl-3-(4-phenoxyanilino)propanamide
CID 109020512

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide (CID 42852735) is N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide is CN(Cc1ccccc1)C(=O)Cc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is CMVABBJWEVFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-27(2,3)24-14-10-22(11-15-24)19-28-25-16-12-21(13-17-25)18-26(30)29(4)20-23-8-6-5-7-9-23/h5-17,28H,18-20H2,1-4H3.
What are the key properties of N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide?
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 400.57 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 42852735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).