N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide

C23H22N2O3 — CID 113000349

IUPACN-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-21-15-9-8-14-20(21)23(27)24-16-22(26)25(19-12-6-3-7-13-19)17-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,24,27)
InChIKeyZUCRSFQQERLXRL-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide

N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide (PubChem CID 113000349) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
PubChem CID113000349
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O3/c1-28-21-15-9-8-14-20(21)23(27)24-16-22(26)25(19-12-6-3-7-13-19)17-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,24,27)
InChIKeyZUCRSFQQERLXRL-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 24526856
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
2-methoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993686
2-ethoxy-N-[2-[ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55593757
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
CID 109040385
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
N-(2-benzylsulfanylethyl)-2-methoxybenzamide
CID 5225725
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide (CID 113000349) is N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is ZUCRSFQQERLXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-28-21-15-9-8-14-20(21)23(27)24-16-22(26)25(19-12-6-3-7-13-19)17-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide?
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 113000349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).