2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone

C18H28N2O3 — CID 54825440

IUPAC2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCOCCOc1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-22-12-13-23-17-6-4-16(5-7-17)19-14-18(21)20-10-8-15(2)9-11-20/h4-7,15,19H,3,8-14H2,1-2H3
InChIKeyYJWFMPKFVXEMKI-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.77
Rot. Bonds8

About 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 54825440) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID54825440
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCOCCOc1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-3-22-12-13-23-17-6-4-16(5-7-17)19-14-18(21)20-10-8-15(2)9-11-20/h4-7,15,19H,3,8-14H2,1-2H3
InChIKeyYJWFMPKFVXEMKI-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone 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

1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
CID 54823733
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989
2-[4-(2-ethoxyethoxy)anilino]-N-methylacetamide
CID 54825412
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
N-(4-ethoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54831051
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835990
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
N-(4-heptoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830572

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone (CID 54825440) is 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone is CCOCCOc1ccc(NCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is YJWFMPKFVXEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-22-12-13-23-17-6-4-16(5-7-17)19-14-18(21)20-10-8-15(2)9-11-20/h4-7,15,19H,3,8-14H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 320.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 54825440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).