N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C17H35N3O4 — CID 155751864

IUPACN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCOCCN1CCN(CC)CC1
InChIInChI=1S/C17H35N3O4/c1-3-17(21)18-5-11-22-13-15-24-16-14-23-12-10-20-8-6-19(4-2)7-9-20/h3-16H2,1-2H3,(H,18,21)
InChIKeyKCZZOUXQICQKSZ-UHFFFAOYSA-N
MW345.48 g/mol
LogP0.20
Rot. Bonds14

About N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide

N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 155751864) has the molecular formula C17H35N3O4 and a molecular weight of 345.48 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID155751864
Molecular FormulaC17H35N3O4
Molecular Weight345.48 g/mol
Exact Mass345.26
IUPAC NameN-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCCC(=O)NCCOCCOCCOCCN1CCN(CC)CC1
InChIInChI=1S/C17H35N3O4/c1-3-17(21)18-5-11-22-13-15-24-16-14-23-12-10-20-8-6-19(4-2)7-9-20/h3-16H2,1-2H3,(H,18,21)
InChIKeyKCZZOUXQICQKSZ-UHFFFAOYSA-N
XLogP0.20
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
2-[2-[4-(2-aminooxyethyl)piperazin-1-yl]ethoxy]-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 177056741
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]propanamide
CID 147425516
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
N-[2-[3-[4-[2-(6-chlorohexoxy)ethyl]piperazin-1-yl]propoxy]ethyl]pentanamide
CID 170630354

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 155751864) is N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide is CCC(=O)NCCOCCOCCOCCN1CCN(CC)CC1.
What is the InChIKey of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is KCZZOUXQICQKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O4/c1-3-17(21)18-5-11-22-13-15-24-16-14-23-12-10-20-8-6-19(4-2)7-9-20/h3-16H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 345.48 g/mol, XLogP of 0.20, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 155751864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).