N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide

C19H23N3O3 — CID 54844190

IUPACN-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-12-11-20-18(23)14-21-17-9-7-16(8-10-17)19(24)22-13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,20,23)(H,22,24)
InChIKeyONZLHSAGMBDMJG-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.79
Rot. Bonds9

About N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide

N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54844190) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
PubChem CID54844190
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c1-25-12-11-20-18(23)14-21-17-9-7-16(8-10-17)19(24)22-13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,20,23)(H,22,24)
InChIKeyONZLHSAGMBDMJG-UHFFFAOYSA-N
XLogP1.79
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.79
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

N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-benzyl-4-(propylamino)benzamide
CID 62172438
N-benzyl-4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54843826
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N,N-diethyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54833942

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide (CID 54844190) is N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide is COCCNC(=O)CNc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is ONZLHSAGMBDMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-25-12-11-20-18(23)14-21-17-9-7-16(8-10-17)19(24)22-13-15-5-3-2-4-6-15/h2-10,21H,11-14H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide?
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 341.41 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54844190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).