benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium

C25H28N3O3+ — CID 8541687

IUPACbenzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(17-19-9-5-4-6-10-19)18-24(29)26-21-15-13-20(14-16-21)25(30)27-22-11-7-8-12-23(22)31-2/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyDFFHJUBTFCYRSY-UHFFFAOYSA-O
MW418.52 g/mol
LogP2.99
Rot. Bonds9

About benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium

benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (PubChem CID 8541687) has the molecular formula C25H28N3O3+ and a molecular weight of 418.52 g/mol. Its IUPAC name is benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
PubChem CID8541687
Molecular FormulaC25H28N3O3+
Molecular Weight418.52 g/mol
Exact Mass418.21
IUPAC Namebenzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(17-19-9-5-4-6-10-19)18-24(29)26-21-15-13-20(14-16-21)25(30)27-22-11-7-8-12-23(22)31-2/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyDFFHJUBTFCYRSY-UHFFFAOYSA-O
XLogP2.99
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541556
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
CID 55850982
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (CID 8541687) is benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The InChIKey is DFFHJUBTFCYRSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N3O3/c1-3-28(17-19-9-5-4-6-10-19)18-24(29)26-21-15-13-20(14-16-21)25(30)27-22-11-7-8-12-23(22)31-2/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium has a molecular weight of 418.52 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8541687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).