N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide

C18H21N3O3 — CID 54838041

IUPACN-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-19-18(23)13-7-6-8-14(11-13)20-12-17(22)21-15-9-4-5-10-16(15)24-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyGJAITKGSZVLIRC-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.50
Rot. Bonds7

About N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide

N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54838041) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID54838041
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H21N3O3/c1-3-19-18(23)13-7-6-8-14(11-13)20-12-17(22)21-15-9-4-5-10-16(15)24-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyGJAITKGSZVLIRC-UHFFFAOYSA-N
XLogP2.50
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
3-[[2-[2-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837835
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54838010
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817532
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N-ethylbenzamide
CID 51225156
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837717
N-(2-methoxyethyl)-3-[[2-[2-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54835975
N-ethyl-3-[[2-(3-propoxyanilino)acetyl]amino]benzamide
CID 36861007
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-ethyl-3-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide (CID 54838041) is N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide is CCNC(=O)c1cccc(NCC(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is GJAITKGSZVLIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-19-18(23)13-7-6-8-14(11-13)20-12-17(22)21-15-9-4-5-10-16(15)24-2/h4-11,20H,3,12H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54838041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).