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

C14H30N4O2 — CID 79472930

IUPAC2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)C(CNC(=O)COCCN)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O2/c1-12(2)13(18-7-5-17(3)6-8-18)10-16-14(19)11-20-9-4-15/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyFTUDYRNYYVJFSB-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.65
Rot. Bonds8

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

2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (PubChem CID 79472930) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
PubChem CID79472930
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide
SMILESCC(C)C(CNC(=O)COCCN)N1CCN(C)CC1
InChIInChI=1S/C14H30N4O2/c1-12(2)13(18-7-5-17(3)6-8-18)10-16-14(19)11-20-9-4-15/h12-13H,4-11,15H2,1-3H3,(H,16,19)
InChIKeyFTUDYRNYYVJFSB-UHFFFAOYSA-N
XLogP-0.65
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
N-[2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethyl]acetamide
CID 53624131
2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 2053583
Cambridge id 5488718
CID 2849065
(6S)-3-methoxy-6-propan-2-ylpiperazine-2,5-dione
CID 101991919
2-Amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 22492154
3-Ethyl-1-[(2,2,3,3-tetrafluoropropoxy)acetyl]piperazine
CID 56748804
4-(2-Butan-2-yloxyacetyl)-6-methylpiperazin-2-one
CID 136546640
5-(Propan-2-yl)morpholin-3-one
CID 20063803
N-[2-(4-methylpiperidin-1-yl)propyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86853136

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide (CID 79472930) is 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is CC(C)C(CNC(=O)COCCN)N1CCN(C)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
The InChIKey is FTUDYRNYYVJFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-12(2)13(18-7-5-17(3)6-8-18)10-16-14(19)11-20-9-4-15/h12-13H,4-11,15H2,1-3H3,(H,16,19).
What are the key properties of 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide?
2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 79472930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).