ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen

C20H45N3O4 — CID 169215012

IUPACethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
SMILESCC.CCC(C)CC(=O)NCCOCCOCCOCCN1CCNCC1.[H][H]
InChIInChI=1S/C18H37N3O4.C2H6.H2/c1-3-17(2)16-18(22)20-6-10-23-12-14-25-15-13-24-11-9-21-7-4-19-5-8-21;1-2;/h17,19H,3-16H2,1-2H3,(H,20,22);1-2H3;1H
InChIKeyVLLPPFQOLOOADH-UHFFFAOYSA-N
MW391.60 g/mol
LogP1.77
Rot. Bonds15

About ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen

ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen (PubChem CID 169215012) has the molecular formula C20H45N3O4 and a molecular weight of 391.60 g/mol. Its IUPAC name is ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
PubChem CID169215012
Molecular FormulaC20H45N3O4
Molecular Weight391.60 g/mol
Exact Mass391.34
IUPAC Nameethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
SMILESCC.CCC(C)CC(=O)NCCOCCOCCOCCN1CCNCC1.[H][H]
InChIInChI=1S/C18H37N3O4.C2H6.H2/c1-3-17(2)16-18(22)20-6-10-23-12-14-25-15-13-24-11-9-21-7-4-19-5-8-21;1-2;/h17,19H,3-16H2,1-2H3,(H,20,22);1-2H3;1H
InChIKeyVLLPPFQOLOOADH-UHFFFAOYSA-N
XLogP1.77
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
CID 114876985
N-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
3,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide;hydrochloride
CID 119393526
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
N-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethyl]-2-methylbutanamide;ethane;molecular hydrogen
CID 171539223
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen?
The IUPAC name of ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen (CID 169215012) is ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen.
What is the SMILES notation for ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen?
The canonical SMILES for ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen is CC.CCC(C)CC(=O)NCCOCCOCCOCCN1CCNCC1.[H][H].
What is the InChIKey of ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen?
The InChIKey is VLLPPFQOLOOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4.C2H6.H2/c1-3-17(2)16-18(22)20-6-10-23-12-14-25-15-13-24-11-9-21-7-4-19-5-8-21;1-2;/h17,19H,3-16H2,1-2H3,(H,20,22);1-2H3;1H.
What are the key properties of ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen?
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen has a molecular weight of 391.60 g/mol, XLogP of 1.77, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen is sourced from PubChem (CID 169215012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).