N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide

C20H25N3O4 — CID 54836212

IUPACN-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-26-12-11-21-20(25)16-5-7-17(8-6-16)22-14-19(24)23-13-15-3-9-18(27-2)10-4-15/h3-10,22H,11-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyLSVOKJQXNVOXIR-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.80
Rot. Bonds10

About N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 54836212) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
PubChem CID54836212
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-26-12-11-21-20(25)16-5-7-17(8-6-16)22-14-19(24)23-13-15-3-9-18(27-2)10-4-15/h3-10,22H,11-14H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyLSVOKJQXNVOXIR-UHFFFAOYSA-N
XLogP1.80
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840266
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54844190
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835797
4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54835007
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-methoxyethyl)thiourea
CID 8617417
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide (CID 54836212) is N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide is COCCNC(=O)c1ccc(NCC(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is LSVOKJQXNVOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-12-11-21-20(25)16-5-7-17(8-6-16)22-14-19(24)23-13-15-3-9-18(27-2)10-4-15/h3-10,22H,11-14H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 371.44 g/mol, XLogP of 1.80, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54836212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).