N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide

C26H28N2O3 — CID 43877329

IUPACN-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-24(31-23-15-13-19(2)14-16-23)25(29)27-22-12-8-11-21(17-22)26(30)28(3)18-20-9-6-5-7-10-20/h5-17,24H,4,18H2,1-3H3,(H,27,29)
InChIKeyWBUKOEURNBNMJV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.06
Rot. Bonds8

About N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide

N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide (PubChem CID 43877329) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
PubChem CID43877329
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C26H28N2O3/c1-4-24(31-23-15-13-19(2)14-16-23)25(29)27-22-12-8-11-21(17-22)26(30)28(3)18-20-9-6-5-7-10-20/h5-17,24H,4,18H2,1-3H3,(H,27,29)
InChIKeyWBUKOEURNBNMJV-UHFFFAOYSA-N
XLogP5.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzamide
CID 43877323
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
CID 4949978
ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-benzyl-N-methyl-3-[[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]amino]benzamide
CID 54841824
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
2-(4-methylphenoxy)-N-[4-(2-phenylethoxy)phenyl]butanamide
CID 17066984
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
2-phenoxy-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222894
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 42579577

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide?
The IUPAC name of N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide (CID 43877329) is N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide?
The canonical SMILES for N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide?
The InChIKey is WBUKOEURNBNMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-24(31-23-15-13-19(2)14-16-23)25(29)27-22-12-8-11-21(17-22)26(30)28(3)18-20-9-6-5-7-10-20/h5-17,24H,4,18H2,1-3H3,(H,27,29).
What are the key properties of N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide?
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide has a molecular weight of 416.52 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide is sourced from PubChem (CID 43877329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).