N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide

C22H29N3O4 — CID 54820174

IUPACN-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4/c1-16(2)15-29-20-10-8-18(9-11-20)24-14-21(26)25-19-6-4-17(5-7-19)22(27)23-12-13-28-3/h4-11,16,24H,12-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyUMEURGJMPXMYAT-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.15
Rot. Bonds11

About N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide

N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide (PubChem CID 54820174) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
PubChem CID54820174
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C22H29N3O4/c1-16(2)15-29-20-10-8-18(9-11-20)24-14-21(26)25-19-6-4-17(5-7-19)22(27)23-12-13-28-3/h4-11,16,24H,12-15H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyUMEURGJMPXMYAT-UHFFFAOYSA-N
XLogP3.15
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
N-(2-methoxyethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822703
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
2-(2-methoxyethylamino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54819703
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
4-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836331
4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835385

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide (CID 54820174) is N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide is COCCNC(=O)c1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
The InChIKey is UMEURGJMPXMYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-16(2)15-29-20-10-8-18(9-11-20)24-14-21(26)25-19-6-4-17(5-7-19)22(27)23-12-13-28-3/h4-11,16,24H,12-15H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide?
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.15, 11 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-(2-methylpropoxy)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54820174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).