N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide

C20H33N3O3 — CID 86895124

IUPACN-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C20H33N3O3/c1-4-26-19-7-5-18(6-8-19)21-20(25)15-22(3)14-17-9-11-23(12-10-17)13-16(2)24/h5-8,16-17,24H,4,9-15H2,1-3H3,(H,21,25)
InChIKeyYEDAPBZYJYLONG-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.05
Rot. Bonds9

About N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide

N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide (PubChem CID 86895124) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
PubChem CID86895124
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)CC2CCN(CC(C)O)CC2)cc1
InChIInChI=1S/C20H33N3O3/c1-4-26-19-7-5-18(6-8-19)21-20(25)15-22(3)14-17-9-11-23(12-10-17)13-16(2)24/h5-8,16-17,24H,4,9-15H2,1-3H3,(H,21,25)
InChIKeyYEDAPBZYJYLONG-UHFFFAOYSA-N
XLogP2.05
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 95340516
4-[[4-[[methyl-[2-oxo-2-(4-phenoxyanilino)ethyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 69402446
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-(4-ethoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 60683543
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(4-ethoxyphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607524
tert-butyl 4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]piperidine-1-carboxylate
CID 51131918
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide (CID 86895124) is N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide is CCOc1ccc(NC(=O)CN(C)CC2CCN(CC(C)O)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide?
The InChIKey is YEDAPBZYJYLONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-4-26-19-7-5-18(6-8-19)21-20(25)15-22(3)14-17-9-11-23(12-10-17)13-16(2)24/h5-8,16-17,24H,4,9-15H2,1-3H3,(H,21,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide?
N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide has a molecular weight of 363.50 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 86895124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).