N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide

C26H26N4O3 — CID 22291082

IUPACN-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide
SMILESCOCCNCc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C26H26N4O3/c1-18-3-12-23(29-25(31)21-8-4-19(16-27)5-9-21)15-24(18)30-26(32)22-10-6-20(7-11-22)17-28-13-14-33-2/h3-12,15,28H,13-14,17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWFVSSEJGZCPZOE-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.11
Rot. Bonds9

About N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide

N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide (PubChem CID 22291082) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide
PubChem CID22291082
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide
SMILESCOCCNCc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)cc1
InChIInChI=1S/C26H26N4O3/c1-18-3-12-23(29-25(31)21-8-4-19(16-27)5-9-21)15-24(18)30-26(32)22-10-6-20(7-11-22)17-28-13-14-33-2/h3-12,15,28H,13-14,17H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyWFVSSEJGZCPZOE-UHFFFAOYSA-N
XLogP4.11
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.11
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-[[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]carbamoyl]phenyl] acetate
CID 22291103
3-(chloromethyl)-N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]benzamide
CID 22291059
4-N-(4-cyanophenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045241
4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
4-N-(3-chloro-4-methylphenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050028
4-cyano-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 43601262
5-[(4-cyanobenzoyl)amino]-2-methylbenzoyl chloride
CID 22667774
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
N-(4-cyanophenyl)-3-iodo-4-methylbenzamide
CID 3409554
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide?
The IUPAC name of N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide (CID 22291082) is N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide.
What is the SMILES notation for N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide?
The canonical SMILES for N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide is COCCNCc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2C)cc1.
What is the InChIKey of N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide?
The InChIKey is WFVSSEJGZCPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-18-3-12-23(29-25(31)21-8-4-19(16-27)5-9-21)15-24(18)30-26(32)22-10-6-20(7-11-22)17-28-13-14-33-2/h3-12,15,28H,13-14,17H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide?
N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanobenzoyl)amino]-2-methylphenyl]-4-[(2-methoxyethylamino)methyl]benzamide is sourced from PubChem (CID 22291082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).