2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

C16H34N4O — CID 61240833

IUPAC2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCCC(C)NCC(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-6-14(4)17-12-16(21)18-11-15(13(2)3)20-9-7-19(5)8-10-20/h13-15,17H,6-12H2,1-5H3,(H,18,21)
InChIKeyFDTAVLPZNAVVBO-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.76
Rot. Bonds8

About 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide

2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 61240833) has the molecular formula C16H34N4O and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID61240833
Molecular FormulaC16H34N4O
Molecular Weight298.47 g/mol
Exact Mass298.27
IUPAC Name2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCCC(C)NCC(=O)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H34N4O/c1-6-14(4)17-12-16(21)18-11-15(13(2)3)20-9-7-19(5)8-10-20/h13-15,17H,6-12H2,1-5H3,(H,18,21)
InChIKeyFDTAVLPZNAVVBO-UHFFFAOYSA-N
XLogP0.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
4-chloro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 55204260
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
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
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
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
N-(1-ethylsulfonylpropan-2-yl)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115900724
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (CID 61240833) is 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is CCC(C)NCC(=O)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is FDTAVLPZNAVVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-14(4)17-12-16(21)18-11-15(13(2)3)20-9-7-19(5)8-10-20/h13-15,17H,6-12H2,1-5H3,(H,18,21).
What are the key properties of 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 298.47 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 61240833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).