N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C14H26N4O2 — CID 118234149

IUPACN-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESC=C/N=C(\C)N(CC)C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C14H26N4O2/c1-4-15-13(3)18(5-2)14(20)12-17-8-6-16(7-9-17)10-11-19/h4,19H,1,5-12H2,2-3H3/b15-13+
InChIKeyBYYHOWDZDKQRTI-FYWRMAATSA-N
MW282.39 g/mol
LogP0.01
Rot. Bonds6

About N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 118234149) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID118234149
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESC=C/N=C(\C)N(CC)C(=O)CN1CCN(CCO)CC1
InChIInChI=1S/C14H26N4O2/c1-4-15-13(3)18(5-2)14(20)12-17-8-6-16(7-9-17)10-11-19/h4,19H,1,5-12H2,2-3H3/b15-13+
InChIKeyBYYHOWDZDKQRTI-FYWRMAATSA-N
XLogP0.01
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 118234149) is N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is C=C/N=C(\C)N(CC)C(=O)CN1CCN(CCO)CC1.
What is the InChIKey of N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is BYYHOWDZDKQRTI-FYWRMAATSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-15-13(3)18(5-2)14(20)12-17-8-6-16(7-9-17)10-11-19/h4,19H,1,5-12H2,2-3H3/b15-13+.
What are the key properties of N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-ethenyl-C-methylcarbonimidoyl)-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 118234149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).