N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide

C18H20N2O3 — CID 58653930

IUPACN-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide
SMILESCNC(=O)COc1cc(C)ccc1CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-15(16(10-13)23-12-17(21)19-2)11-20-18(22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAPERMSKVDXTWEI-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.05
Rot. Bonds6

About N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide

N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide (PubChem CID 58653930) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide
PubChem CID58653930
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide
SMILESCNC(=O)COc1cc(C)ccc1CNC(=O)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-15(16(10-13)23-12-17(21)19-2)11-20-18(22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAPERMSKVDXTWEI-UHFFFAOYSA-N
XLogP2.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methylcarbamic acid
CID 154365722
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
3-amino-N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]benzamide
CID 119811442
N-methyl-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 43277188
4-benzamido-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 46587607
N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]benzamide;hydrochloride
CID 69342794
2-(2-tert-butyl-5-methylphenoxy)-N-methylacetamide
CID 19168129
3-chloro-N-[[4-cyano-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-5-methoxybenzamide
CID 58654018
N-[[4-carbamimidoyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]-3-chloro-4-fluoro-5-methylbenzamide
CID 143196880
3-amino-N-[(2-ethoxy-4-methylphenyl)methyl]-3-phenylpropanamide
CID 119952264

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide?
The IUPAC name of N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide (CID 58653930) is N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide is CNC(=O)COc1cc(C)ccc1CNC(=O)c1ccccc1.
What is the InChIKey of N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide?
The InChIKey is APERMSKVDXTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-15(16(10-13)23-12-17(21)19-2)11-20-18(22)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide?
N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[2-(methylamino)-2-oxoethoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 58653930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).