3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide

C18H37N3O3 — CID 164535761

IUPAC3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H37N3O3/c1-16(2)15-18(22)19-5-11-23-13-14-24-12-10-20-6-8-21(9-7-20)17(3)4/h16-17H,5-15H2,1-4H3,(H,19,22)
InChIKeyORMGHAFPRLJJHD-UHFFFAOYSA-N
MW343.51 g/mol
LogP1.21
Rot. Bonds12

About 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide

3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide (PubChem CID 164535761) has the molecular formula C18H37N3O3 and a molecular weight of 343.51 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
PubChem CID164535761
Molecular FormulaC18H37N3O3
Molecular Weight343.51 g/mol
Exact Mass343.28
IUPAC Name3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
SMILESCC(C)CC(=O)NCCOCCOCCN1CCN(C(C)C)CC1
InChIInChI=1S/C18H37N3O3/c1-16(2)15-18(22)19-5-11-23-13-14-24-12-10-20-6-8-21(9-7-20)17(3)4/h16-17H,5-15H2,1-4H3,(H,19,22)
InChIKeyORMGHAFPRLJJHD-UHFFFAOYSA-N
XLogP1.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 155751864
2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 169019370
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-[2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 164557571
N-(methylsulfanylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanamine
CID 138727284
N-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 155582806
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide (CID 164535761) is 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide is CC(C)CC(=O)NCCOCCOCCN1CCN(C(C)C)CC1.
What is the InChIKey of 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide?
The InChIKey is ORMGHAFPRLJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3/c1-16(2)15-18(22)19-5-11-23-13-14-24-12-10-20-6-8-21(9-7-20)17(3)4/h16-17H,5-15H2,1-4H3,(H,19,22).
What are the key properties of 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide?
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide has a molecular weight of 343.51 g/mol, XLogP of 1.21, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide is sourced from PubChem (CID 164535761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).