2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

C24H26N4O3 — CID 9105472

IUPAC2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H26N4O3/c1-28(2)19-12-8-17(9-13-19)26-23(29)16-25-22-7-5-4-6-21(22)24(30)27-18-10-14-20(31-3)15-11-18/h4-15,25H,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRFZMHVKVHUXFGG-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.06
Rot. Bonds8

About 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 9105472) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID9105472
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H26N4O3/c1-28(2)19-12-8-17(9-13-19)26-23(29)16-25-22-7-5-4-6-21(22)24(30)27-18-10-14-20(31-3)15-11-18/h4-15,25H,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyRFZMHVKVHUXFGG-UHFFFAOYSA-N
XLogP4.06
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
methyl 2-[[2-[4-(dimethylamino)anilino]acetyl]amino]benzoate
CID 109010084
2-[2-(hydroxymethyl)anilino]-N-(4-methoxyphenyl)acetamide
CID 141405413
2-(2-ethoxyanilino)-N-(4-methoxyphenyl)acetamide
CID 26438880
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide (CID 9105472) is 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is RFZMHVKVHUXFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-28(2)19-12-8-17(9-13-19)26-23(29)16-25-22-7-5-4-6-21(22)24(30)27-18-10-14-20(31-3)15-11-18/h4-15,25H,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9105472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).