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

C18H39N3O2 — CID 177321622

IUPACethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC.CC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O2.C2H6/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4;1-2/h14-15H,5-13H2,1-4H3,(H,17,20);1-2H3
InChIKeyKMZGOBWZPQLOTM-UHFFFAOYSA-N
MW329.53 g/mol
LogP2.36
Rot. Bonds9

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

ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide (PubChem CID 177321622) has the molecular formula C18H39N3O2 and a molecular weight of 329.53 g/mol. Its IUPAC name is ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Nameethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
PubChem CID177321622
Molecular FormulaC18H39N3O2
Molecular Weight329.53 g/mol
Exact Mass329.30
IUPAC Nameethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC.CC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N3O2.C2H6/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4;1-2/h14-15H,5-13H2,1-4H3,(H,17,20);1-2H3
InChIKeyKMZGOBWZPQLOTM-UHFFFAOYSA-N
XLogP2.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 52.36
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

4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321623
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 170620350
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
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
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide (CID 177321622) is ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide is CC.CC(C)OCCCC(=O)NCCN1CCN(C(C)C)CC1.
What is the InChIKey of ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is KMZGOBWZPQLOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2.C2H6/c1-14(2)19-11-9-18(10-12-19)8-7-17-16(20)6-5-13-21-15(3)4;1-2/h14-15H,5-13H2,1-4H3,(H,17,20);1-2H3.
What are the key properties of ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide?
ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 329.53 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 177321622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).