4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C22H28N2O3 — CID 46479161

IUPAC4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1cccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)19-10-8-18(9-11-19)21(26)24-14-20(25)23-13-16-6-5-7-17(12-16)15-27-4/h5-12H,13-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZSMUDTQKYISTFN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.18
Rot. Bonds7

About 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 46479161) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID46479161
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESCOCc1cccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-22(2,3)19-10-8-18(9-11-19)21(26)24-14-20(25)23-13-16-6-5-7-17(12-16)15-27-4/h5-12H,13-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyZSMUDTQKYISTFN-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
4-tert-butyl-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 27554699
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
4-(ethylsulfamoyl)-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 46479173
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
3-amino-4-chloro-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 61003064

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 46479161) is 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide is COCc1cccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZSMUDTQKYISTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-22(2,3)19-10-8-18(9-11-19)21(26)24-14-20(25)23-13-16-6-5-7-17(12-16)15-27-4/h5-12H,13-15H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46479161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).