[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

C25H28N3O3+ — CID 9254694

IUPAC[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C25H27N3O3/c1-18-8-4-5-9-19(18)16-28(2)17-24(29)27-23-11-7-6-10-22(23)25(30)26-20-12-14-21(31-3)15-13-20/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)/p+1
InChIKeyCZZFUYNIJHSHLS-UHFFFAOYSA-O
MW418.52 g/mol
LogP2.91
Rot. Bonds8

About [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium

[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 9254694) has the molecular formula C25H28N3O3+ and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
PubChem CID9254694
Molecular FormulaC25H28N3O3+
Molecular Weight418.52 g/mol
Exact Mass418.21
IUPAC Name[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)Cc2ccccc2C)cc1
InChIInChI=1S/C25H27N3O3/c1-18-8-4-5-9-19(18)16-28(2)17-24(29)27-23-11-7-6-10-22(23)25(30)26-20-12-14-21(31-3)15-13-20/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)/p+1
InChIKeyCZZFUYNIJHSHLS-UHFFFAOYSA-O
XLogP2.91
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-acetylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 9465682
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(2-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9223006
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222721
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
[2-(2-benzoylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2113876
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium
CID 9101114
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2658446

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium (CID 9254694) is [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH+](C)Cc2ccccc2C)cc1.
What is the InChIKey of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is CZZFUYNIJHSHLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N3O3/c1-18-8-4-5-9-19(18)16-28(2)17-24(29)27-23-11-7-6-10-22(23)25(30)26-20-12-14-21(31-3)15-13-20/h4-15H,16-17H2,1-3H3,(H,26,30)(H,27,29)/p+1.
What are the key properties of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium?
[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 418.52 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 9254694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).