N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

C18H32N4O3 — CID 55412921

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-4-21(13-16(2)3)17(23)14-19-5-7-20(8-6-19)15-18(24)22-9-11-25-12-10-22/h2,4-15H2,1,3H3
InChIKeyROZQLFAEKILHIM-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.11
Rot. Bonds7

About N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (PubChem CID 55412921) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
PubChem CID55412921
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-4-21(13-16(2)3)17(23)14-19-5-7-20(8-6-19)15-18(24)22-9-11-25-12-10-22/h2,4-15H2,1,3H3
InChIKeyROZQLFAEKILHIM-UHFFFAOYSA-N
XLogP-0.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (CID 55412921) is N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is C=C(C)CN(CC)C(=O)CN1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The InChIKey is ROZQLFAEKILHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-4-21(13-16(2)3)17(23)14-19-5-7-20(8-6-19)15-18(24)22-9-11-25-12-10-22/h2,4-15H2,1,3H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of -0.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55412921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).