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

C25H28N3O3+ — CID 8541556

IUPACbenzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(17-19-7-5-4-6-8-19)18-24(29)26-21-11-9-20(10-12-21)25(30)27-22-13-15-23(31-2)16-14-22/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyTYRJZYCQYDPXSK-UHFFFAOYSA-O
MW418.52 g/mol
LogP2.99
Rot. Bonds9

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

benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (PubChem CID 8541556) has the molecular formula C25H28N3O3+ and a molecular weight of 418.52 g/mol. Its IUPAC name is benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
PubChem CID8541556
Molecular FormulaC25H28N3O3+
Molecular Weight418.52 g/mol
Exact Mass418.21
IUPAC Namebenzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1ccccc1
InChIInChI=1S/C25H27N3O3/c1-3-28(17-19-7-5-4-6-8-19)18-24(29)26-21-11-9-20(10-12-21)25(30)27-22-13-15-23(31-2)16-14-22/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyTYRJZYCQYDPXSK-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-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687
(3-cyanophenyl)methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027418
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 9027389
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195
4-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9083996
(3-fluorophenyl)methyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8961817
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-(4-methoxyphenyl)-4-(3-phenylsulfanylpropanoylamino)benzamide
CID 9415706
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium (CID 8541556) is benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
The InChIKey is TYRJZYCQYDPXSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H27N3O3/c1-3-28(17-19-7-5-4-6-8-19)18-24(29)26-21-11-9-20(10-12-21)25(30)27-22-13-15-23(31-2)16-14-22/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-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium?
benzyl-ethyl-[2-[4-[(4-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-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 8541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).