2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide

C16H33N3O — CID 110403103

IUPAC2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCC(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-6-14(7-2)16(20)17-12-15(13(3)4)19-10-8-18(5)9-11-19/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyZVNHWVGLFDXSMV-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.81
Rot. Bonds7

About 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide

2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (PubChem CID 110403103) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
PubChem CID110403103
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCC(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H33N3O/c1-6-14(7-2)16(20)17-12-15(13(3)4)19-10-8-18(5)9-11-19/h13-15H,6-12H2,1-5H3,(H,17,20)
InChIKeyZVNHWVGLFDXSMV-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 61240833
(2S)-2-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]hexanamide
CID 103950354
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 79815067
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
1-(2-ethyl-2-hydroxybutyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110910079
methyl 2-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]butanoate
CID 115353235
1-(2-ethylbutyl)-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 111891371
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
1-(3-hydroxy-4-methylpentyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 111504437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (CID 110403103) is 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is CCC(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The InChIKey is ZVNHWVGLFDXSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-14(7-2)16(20)17-12-15(13(3)4)19-10-8-18(5)9-11-19/h13-15H,6-12H2,1-5H3,(H,17,20).
What are the key properties of 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide has a molecular weight of 283.46 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 110403103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).