N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C20H32N4O3 — CID 9130785

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)CN1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H32N4O3/c1-4-21-19(25)15-24(5-2)20(26)16-23-12-10-22(11-13-23)14-17-6-8-18(27-3)9-7-17/h6-9H,4-5,10-16H2,1-3H3,(H,21,25)
InChIKeyGFAZDOBNGCTUJQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.80
Rot. Bonds9

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9130785) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9130785
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)CN1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H32N4O3/c1-4-21-19(25)15-24(5-2)20(26)16-23-12-10-22(11-13-23)14-17-6-8-18(27-3)9-7-17/h6-9H,4-5,10-16H2,1-3H3,(H,21,25)
InChIKeyGFAZDOBNGCTUJQ-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 9130798
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-methoxybenzoate
CID 9011208
N-ethyl-2-[4-[[4-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 110007949
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 9130486
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8565910
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130598
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9130785) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CCNC(=O)CN(CC)C(=O)CN1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is GFAZDOBNGCTUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-4-21-19(25)15-24(5-2)20(26)16-23-12-10-22(11-13-23)14-17-6-8-18(27-3)9-7-17/h6-9H,4-5,10-16H2,1-3H3,(H,21,25).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 0.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9130785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).