N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide

C12H20N4O3 — CID 134831233

IUPACN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)N(C)CC(=O)NC
InChIInChI=1S/C12H20N4O3/c1-5-6-14-7-11(18)16(4)9-12(19)15(3)8-10(17)13-2/h1,14H,6-9H2,2-4H3,(H,13,17)
InChIKeyGOUMVEFVYJGXQL-UHFFFAOYSA-N
MW268.32 g/mol
LogP-2.13
Rot. Bonds7

About N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide

N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 134831233) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID134831233
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)N(C)CC(=O)NC
InChIInChI=1S/C12H20N4O3/c1-5-6-14-7-11(18)16(4)9-12(19)15(3)8-10(17)13-2/h1,14H,6-9H2,2-4H3,(H,13,17)
InChIKeyGOUMVEFVYJGXQL-UHFFFAOYSA-N
XLogP-2.13
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide (CID 134831233) is N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CC(=O)N(C)CC(=O)NC.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is GOUMVEFVYJGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-6-14-7-11(18)16(4)9-12(19)15(3)8-10(17)13-2/h1,14H,6-9H2,2-4H3,(H,13,17).
What are the key properties of N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide?
N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 268.32 g/mol, XLogP of -2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 134831233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).