N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide

C22H20N2O3 — CID 18870161

IUPACN-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-8-5-6-13-20(16)24-21(25)15-27-19-12-7-11-18(14-19)23-22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyXSKPCNYNZCHSRY-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.26
Rot. Bonds6

About N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide

N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 18870161) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
PubChem CID18870161
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C22H20N2O3/c1-16-8-5-6-13-20(16)24-21(25)15-27-19-12-7-11-18(14-19)23-22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyXSKPCNYNZCHSRY-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-[3-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883847
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1334409
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
N-cyclopropyl-3-[2-(2-methylanilino)-2-oxoethoxy]benzamide
CID 87021689
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 2233816
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
3-[[2-[(2-phenoxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1369639

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide (CID 18870161) is N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide is Cc1ccccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is XSKPCNYNZCHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-5-6-13-20(16)24-21(25)15-27-19-12-7-11-18(14-19)23-22(26)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide?
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 18870161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).