N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide

C23H30N3O3+ — CID 7411643

IUPACN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyWMKSFPYNDBBECL-UHFFFAOYSA-O
MW396.51 g/mol
LogP1.81
Rot. Bonds7

About N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide

N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide (PubChem CID 7411643) has the molecular formula C23H30N3O3+ and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
PubChem CID7411643
Molecular FormulaC23H30N3O3+
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
SMILESCCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1
InChIKeyWMKSFPYNDBBECL-UHFFFAOYSA-O
XLogP1.81
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 3220803
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 9435138
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide
CID 7411893
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8993957
N-[2-(2-ethoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998801
[2-(cyclopropylamino)-2-oxoethyl]-[2-(2-ethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052823
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide (CID 7411643) is N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide is CCOc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide?
The InChIKey is WMKSFPYNDBBECL-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-21-11-7-6-10-20(21)25-22(27)16-26-14-12-18(13-15-26)24-23(28)19-9-5-4-8-17(19)2/h4-11,18H,3,12-16H2,1-2H3,(H,24,28)(H,25,27)/p+1.
What are the key properties of N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide?
N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide has a molecular weight of 396.51 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidin-1-ium-4-yl]-2-methylbenzamide is sourced from PubChem (CID 7411643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).