(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide

C19H27N3O2 — CID 75407986

IUPAC(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-3-4-5-6-19(23)20-17-7-9-18(10-8-17)24-16-15-22-13-11-21(2)12-14-22/h3-10H,11-16H2,1-2H3,(H,20,23)/b4-3+,6-5+
InChIKeyFTPDUPNWHCZEAM-VNKDHWASSA-N
MW329.44 g/mol
LogP2.38
Rot. Bonds7

About (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide (PubChem CID 75407986) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide
PubChem CID75407986
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-3-4-5-6-19(23)20-17-7-9-18(10-8-17)24-16-15-22-13-11-21(2)12-14-22/h3-10H,11-16H2,1-2H3,(H,20,23)/b4-3+,6-5+
InChIKeyFTPDUPNWHCZEAM-VNKDHWASSA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]but-2-enamide
CID 71993668
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
(2S)-2-amino-3,3-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]butanamide
CID 119903588
4-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pentanamide;trihydrochloride
CID 120566066
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-2-en-1-one
CID 162367138
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide (CID 75407986) is (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1.
What is the InChIKey of (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide?
The InChIKey is FTPDUPNWHCZEAM-VNKDHWASSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-4-5-6-19(23)20-17-7-9-18(10-8-17)24-16-15-22-13-11-21(2)12-14-22/h3-10H,11-16H2,1-2H3,(H,20,23)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide has a molecular weight of 329.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 75407986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).