ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen

C16H37N3O2 — CID 170620350

IUPACethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
SMILESCC.CC(C)OCCCC(=O)NCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C14H29N3O2.C2H6.H2/c1-13(2)19-12-4-5-14(18)15-6-7-17-10-8-16(3)9-11-17;1-2;/h13H,4-12H2,1-3H3,(H,15,18);1-2H3;1H
InChIKeyWKVOJXICOYEFNZ-UHFFFAOYSA-N
MW303.49 g/mol
LogP1.83
Rot. Bonds8

About ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen

ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen (PubChem CID 170620350) has the molecular formula C16H37N3O2 and a molecular weight of 303.49 g/mol. Its IUPAC name is ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
PubChem CID170620350
Molecular FormulaC16H37N3O2
Molecular Weight303.49 g/mol
Exact Mass303.29
IUPAC Nameethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
SMILESCC.CC(C)OCCCC(=O)NCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C14H29N3O2.C2H6.H2/c1-13(2)19-12-4-5-14(18)15-6-7-17-10-8-16(3)9-11-17;1-2;/h13H,4-12H2,1-3H3,(H,15,18);1-2H3;1H
InChIKeyWKVOJXICOYEFNZ-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 51.83
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
4-propan-2-yloxy-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]butanamide
CID 177321623
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
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-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 106009782
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
ethane;5-(4-methylpiperazin-1-yl)-N-propylpentanamide
CID 176967624
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen (CID 170620350) is ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen is CC.CC(C)OCCCC(=O)NCCN1CCN(C)CC1.[H][H].
What is the InChIKey of ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
The InChIKey is WKVOJXICOYEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.C2H6.H2/c1-13(2)19-12-4-5-14(18)15-6-7-17-10-8-16(3)9-11-17;1-2;/h13H,4-12H2,1-3H3,(H,15,18);1-2H3;1H.
What are the key properties of ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen?
ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen has a molecular weight of 303.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen is sourced from PubChem (CID 170620350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).