N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

C24H35N5O3 — CID 99785677

IUPACN-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOCN(C(=O)CN1CCN(c2nccc(OCC)n2)CC1)c1c(C)cccc1CC
InChIInChI=1S/C24H35N5O3/c1-5-20-10-8-9-19(4)23(20)29(18-31-6-2)22(30)17-27-13-15-28(16-14-27)24-25-12-11-21(26-24)32-7-3/h8-12H,5-7,13-18H2,1-4H3
InChIKeyZPJZIGGNPVNMGH-UHFFFAOYSA-N
MW441.58 g/mol
LogP2.90
Rot. Bonds10

About N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide

N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 99785677) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID99785677
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOCN(C(=O)CN1CCN(c2nccc(OCC)n2)CC1)c1c(C)cccc1CC
InChIInChI=1S/C24H35N5O3/c1-5-20-10-8-9-19(4)23(20)29(18-31-6-2)22(30)17-27-13-15-28(16-14-27)24-25-12-11-21(26-24)32-7-3/h8-12H,5-7,13-18H2,1-4H3
InChIKeyZPJZIGGNPVNMGH-UHFFFAOYSA-N
XLogP2.90
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)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-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 6426848
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
2-[4-(2-bromoethyl)piperazin-1-yl]-4-ethoxypyrimidine
CID 112639380
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoacetic acid
CID 15842091
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 2904617
2-[(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 99792353
4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
3-[[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122029405
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-pyridin-1-ium-1-ylacetamide
CID 3124102
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 99785677) is N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is CCOCN(C(=O)CN1CCN(c2nccc(OCC)n2)CC1)c1c(C)cccc1CC.
What is the InChIKey of N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is ZPJZIGGNPVNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-5-20-10-8-9-19(4)23(20)29(18-31-6-2)22(30)17-27-13-15-28(16-14-27)24-25-12-11-21(26-24)32-7-3/h8-12H,5-7,13-18H2,1-4H3.
What are the key properties of N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide?
N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 441.58 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 99785677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).