2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide

C16H34N6O3 — CID 58957783

IUPAC2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
SMILESCNCC(=O)NCCC(CCNC(=O)CNC)CCNC(=O)CNC
InChIInChI=1S/C16H34N6O3/c1-17-10-14(23)20-7-4-13(5-8-21-15(24)11-18-2)6-9-22-16(25)12-19-3/h13,17-19H,4-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyCGYQOCWWAGXWLE-UHFFFAOYSA-N
MW358.49 g/mol
LogP-2.22
Rot. Bonds15

About 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide

2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide (PubChem CID 58957783) has the molecular formula C16H34N6O3 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
PubChem CID58957783
Molecular FormulaC16H34N6O3
Molecular Weight358.49 g/mol
Exact Mass358.27
IUPAC Name2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide
SMILESCNCC(=O)NCCC(CCNC(=O)CNC)CCNC(=O)CNC
InChIInChI=1S/C16H34N6O3/c1-17-10-14(23)20-7-4-13(5-8-21-15(24)11-18-2)6-9-22-16(25)12-19-3/h13,17-19H,4-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyCGYQOCWWAGXWLE-UHFFFAOYSA-N
XLogP-2.22
TPSA123.39 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 5-2.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide with MolForge

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Related Compounds

2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915
2-(methylamino)-N-[2-(methylcarbamoylamino)ethyl]acetamide
CID 146415919
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092
N-ethyl-2-(methylamino)acetamide;hydrochloride
CID 18526161
2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
ethane;2-methyl-N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(methylamino)acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 145320250
N-methyl-2-(methylamino)acetamide
CID 2463138

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide (CID 58957783) is 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide is CNCC(=O)NCCC(CCNC(=O)CNC)CCNC(=O)CNC.
What is the InChIKey of 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide?
The InChIKey is CGYQOCWWAGXWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N6O3/c1-17-10-14(23)20-7-4-13(5-8-21-15(24)11-18-2)6-9-22-16(25)12-19-3/h13,17-19H,4-12H2,1-3H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide?
2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of -2.22, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[5-[[2-(methylamino)acetyl]amino]-3-[2-[[2-(methylamino)acetyl]amino]ethyl]pentyl]acetamide is sourced from PubChem (CID 58957783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).