4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide

C16H33N3O2 — CID 177321623

IUPAC4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20)
InChIKeyAVTNBDHMKFKENZ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.33
Rot. Bonds9

About 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide

4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide (PubChem CID 177321623) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
PubChem CID177321623
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20)
InChIKeyAVTNBDHMKFKENZ-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321622
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
CID 140937076
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide (CID 177321623) is 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide is CC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is AVTNBDHMKFKENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4/h14-15H,5-13H2,1-4H3,(H,17,20).
What are the key properties of 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 299.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 177321623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).