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

C16H34N4O — CID 79815067

IUPAC2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCC(N)(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-6-16(17,7-2)15(21)18-12-14(13(3)4)20-10-8-19(5)9-11-20/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyZIWMYYDCMDYPEZ-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.89
Rot. Bonds7

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

2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (PubChem CID 79815067) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
PubChem CID79815067
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
SMILESCCC(N)(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-6-16(17,7-2)15(21)18-12-14(13(3)4)20-10-8-19(5)9-11-20/h13-14H,6-12,17H2,1-5H3,(H,18,21)
InChIKeyZIWMYYDCMDYPEZ-UHFFFAOYSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethyl-2-hydroxybutyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110910079
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 97250401
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
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
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
methyl 2-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]butanoate
CID 115353235
2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
CID 79472930

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide (CID 79815067) is 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is CCC(N)(CC)C(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
The InChIKey is ZIWMYYDCMDYPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-16(17,7-2)15(21)18-12-14(13(3)4)20-10-8-19(5)9-11-20/h13-14H,6-12,17H2,1-5H3,(H,18,21).
What are the key properties of 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide?
2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 79815067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).