2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide

C10H22N4O2 — CID 177413313

IUPAC2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
SMILESCNCC(=O)NCCCCNC(=O)CNC
InChIInChI=1S/C10H22N4O2/c1-11-7-9(15)13-5-3-4-6-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNVEJPDSAFWQLPO-UHFFFAOYSA-N
MW230.31 g/mol
LogP-1.56
Rot. Bonds9

About 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide

2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide (PubChem CID 177413313) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
PubChem CID177413313
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
SMILESCNCC(=O)NCCCCNC(=O)CNC
InChIInChI=1S/C10H22N4O2/c1-11-7-9(15)13-5-3-4-6-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyNVEJPDSAFWQLPO-UHFFFAOYSA-N
XLogP-1.56
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(5,5-dimethylhexyl)-2-(methylamino)acetamide;hydrochloride
CID 119775744
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
CID 58957783
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949
N-(3-ethenoxypropyl)-2-(methylamino)acetamide
CID 61274455
N-(5-imino-4-oxopentyl)-2-(methylamino)acetamide
CID 167000280
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide (CID 177413313) is 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide is CNCC(=O)NCCCCNC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide?
The InChIKey is NVEJPDSAFWQLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-11-7-9(15)13-5-3-4-6-14-10(16)8-12-2/h11-12H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide?
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide has a molecular weight of 230.31 g/mol, XLogP of -1.56, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide is sourced from PubChem (CID 177413313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).