3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide

C13H19N3O3 — CID 119711741

IUPAC3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(N)=O)ccc1C
InChIInChI=1S/C13H19N3O3/c1-9-3-4-10(13(14)18)7-11(9)16-12(17)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyKTTXNOIUMJEOCB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.27
Rot. Bonds7

About 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide

3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide (PubChem CID 119711741) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
PubChem CID119711741
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(N)=O)ccc1C
InChIInChI=1S/C13H19N3O3/c1-9-3-4-10(13(14)18)7-11(9)16-12(17)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyKTTXNOIUMJEOCB-UHFFFAOYSA-N
XLogP0.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
methyl 4-fluoro-3-[[2-(2-methoxyethylamino)acetyl]amino]benzoate
CID 79281167
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119762977
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 119725790
N-ethyl-4-[[2-(2-methoxyethylamino)acetyl]amino]-3-methylbenzamide;hydrochloride
CID 119714198
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
N-(3-methoxy-2,4-dimethylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119728792
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
2-[[2-(2-methylanilino)-2-oxoethyl]amino]ethyl carbamate
CID 83209981
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide?
The IUPAC name of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide (CID 119711741) is 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide.
What is the SMILES notation for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide?
The canonical SMILES for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide is COCCNCC(=O)Nc1cc(C(N)=O)ccc1C.
What is the InChIKey of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide?
The InChIKey is KTTXNOIUMJEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-3-4-10(13(14)18)7-11(9)16-12(17)8-15-5-6-19-2/h3-4,7,15H,5-6,8H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide?
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide is sourced from PubChem (CID 119711741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).