N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide

C18H28N3O2+ — CID 8623341

IUPACN-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCCC[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-3-15-9-4-5-10-16(15)20-17(22)12-19-18(23)13-21-11-7-6-8-14(21)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,19,23)(H,20,22)/p+1/t14-/m0/s1
InChIKeyRXNUVMVJXPYGOE-AWEZNQCLSA-O
MW318.44 g/mol
LogP0.76
Rot. Bonds6

About N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide (PubChem CID 8623341) has the molecular formula C18H28N3O2+ and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
PubChem CID8623341
Molecular FormulaC18H28N3O2+
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC NameN-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCCC[C@@H]1C
InChIInChI=1S/C18H27N3O2/c1-3-15-9-4-5-10-16(15)20-17(22)12-19-18(23)13-21-11-7-6-8-14(21)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,19,23)(H,20,22)/p+1/t14-/m0/s1
InChIKeyRXNUVMVJXPYGOE-AWEZNQCLSA-O
XLogP0.76
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide 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-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
N-[2-(2-methoxyphenyl)ethyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8623412
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583118
N-(2-ethylphenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8596337
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202919
2-[[2-[cyclopropylmethyl(propyl)amino]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 86910908
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583450
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 9197040
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697995
2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8540795
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
trans-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230482

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide (CID 8623341) is N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)C[NH+]1CCCC[C@@H]1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
The InChIKey is RXNUVMVJXPYGOE-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H27N3O2/c1-3-15-9-4-5-10-16(15)20-17(22)12-19-18(23)13-21-11-7-6-8-14(21)2/h4-5,9-10,14H,3,6-8,11-13H2,1-2H3,(H,19,23)(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide has a molecular weight of 318.44 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8623341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).