N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide

C22H28N2O2 — CID 43056971

IUPACN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)19-13-11-17(12-14-19)15-23(4)20(25)16-24(5)21(26)18-9-7-6-8-10-18/h6-14H,15-16H2,1-5H3
InChIKeyPKXGAJNWXXERSN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.71
Rot. Bonds5

About N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide

N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide (PubChem CID 43056971) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
PubChem CID43056971
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-22(2,3)19-13-11-17(12-14-19)15-23(4)20(25)16-24(5)21(26)18-9-7-6-8-10-18/h6-14H,15-16H2,1-5H3
InChIKeyPKXGAJNWXXERSN-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 43047921
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[(4-tert-butylphenyl)methyl]-N-hydroxybenzamide
CID 177290710
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-benzhydryl-N-[(4-tert-butylphenyl)methyl]benzamide
CID 42703438
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
4-[[methyl-(3-methyl-3-phenylbutanoyl)amino]methyl]benzoic acid
CID 119226133
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide (CID 43056971) is N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CN(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide?
The InChIKey is PKXGAJNWXXERSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)19-13-11-17(12-14-19)15-23(4)20(25)16-24(5)21(26)18-9-7-6-8-10-18/h6-14H,15-16H2,1-5H3.
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide?
N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 43056971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).