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

C11H18N4O3 — CID 102035848

IUPACN-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)N(C)CC(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-5-13-6-10(17)15(3)8-11(18)14(2)7-9(12)16/h1,13H,5-8H2,2-3H3,(H2,12,16)
InChIKeyORBLDFYCJUZQPH-UHFFFAOYSA-N
MW254.29 g/mol
LogP-2.39
Rot. Bonds7

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

N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (PubChem CID 102035848) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
PubChem CID102035848
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CC(=O)N(C)CC(N)=O
InChIInChI=1S/C11H18N4O3/c1-4-5-13-6-10(17)15(3)8-11(18)14(2)7-9(12)16/h1,13H,5-8H2,2-3H3,(H2,12,16)
InChIKeyORBLDFYCJUZQPH-UHFFFAOYSA-N
XLogP-2.39
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-2.39
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-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide (CID 102035848) is N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CC(=O)N(C)CC(N)=O.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
The InChIKey is ORBLDFYCJUZQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-5-13-6-10(17)15(3)8-11(18)14(2)7-9(12)16/h1,13H,5-8H2,2-3H3,(H2,12,16).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide?
N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide has a molecular weight of 254.29 g/mol, XLogP of -2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 102035848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).