N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide

C20H24N2O3 — CID 46598045

IUPACN-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOCc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-3-25-14-17-10-8-16(9-11-17)12-21-19(23)13-22-20(24)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBJNDSPRPKKQFDY-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.58
Rot. Bonds8

About N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 46598045) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID46598045
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCCOCc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H24N2O3/c1-3-25-14-17-10-8-16(9-11-17)12-21-19(23)13-22-20(24)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBJNDSPRPKKQFDY-UHFFFAOYSA-N
XLogP2.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948
2-methyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220307
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 122144197
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029
3-(dimethylsulfamoyl)-N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30873014

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide (CID 46598045) is N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide is CCOCc1ccc(CNC(=O)CNC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is BJNDSPRPKKQFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-14-17-10-8-16(9-11-17)12-21-19(23)13-22-20(24)18-7-5-4-6-15(18)2/h4-11H,3,12-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46598045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).