N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide

C23H30N3O3+ — CID 8583444

IUPACN-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-13-11-20(12-14-21)25-23(28)18-7-9-19(10-8-18)24-22(27)16-26-15-5-4-6-17(26)2/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1
InChIKeyXGUSHDHRGREEFZ-QGZVFWFLSA-O
MW396.51 g/mol
LogP2.73
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide

N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (PubChem CID 8583444) has the molecular formula C23H30N3O3+ and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
PubChem CID8583444
Molecular FormulaC23H30N3O3+
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC NameN-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCC[C@H]3C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-13-11-20(12-14-21)25-23(28)18-7-9-19(10-8-18)24-22(27)16-26-15-5-4-6-17(26)2/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1
InChIKeyXGUSHDHRGREEFZ-QGZVFWFLSA-O
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-ethoxyphenyl)-4-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8614526
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896631
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide
CID 8973187
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
[2-(cyclopropylamino)-2-oxoethyl]-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053171

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (CID 8583444) is N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)C[NH+]3CCCC[C@H]3C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The InChIKey is XGUSHDHRGREEFZ-QGZVFWFLSA-O. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-21-13-11-20(12-14-21)25-23(28)18-7-9-19(10-8-18)24-22(27)16-26-15-5-4-6-17(26)2/h7-14,17H,3-6,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t17-/m1/s1.
What are the key properties of N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide has a molecular weight of 396.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).