N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide

C15H30N4O3 — CID 30960234

IUPACN-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C15H30N4O3/c1-13(2)10-17-15(21)12-19-7-5-18(6-8-19)11-14(20)16-4-9-22-3/h13H,4-12H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyHAQIBPKTVLDTHI-UHFFFAOYSA-N
MW314.43 g/mol
LogP-0.86
Rot. Bonds9

About N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30960234) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30960234
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC NameN-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(CC(=O)NCC(C)C)CC1
InChIInChI=1S/C15H30N4O3/c1-13(2)10-17-15(21)12-19-7-5-18(6-8-19)11-14(20)16-4-9-22-3/h13H,4-12H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyHAQIBPKTVLDTHI-UHFFFAOYSA-N
XLogP-0.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
N-(2-methoxyethyl)-2-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]acetamide
CID 119836390
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
N-(2-methoxyethyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27129107
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide (CID 30960234) is N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(CC(=O)NCC(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is HAQIBPKTVLDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-13(2)10-17-15(21)12-19-7-5-18(6-8-19)11-14(20)16-4-9-22-3/h13H,4-12H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 314.43 g/mol, XLogP of -0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30960234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).