N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide

C13H24N4O4 — CID 22889127

IUPACN'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide
SMILESCN(C)C(=O)CC(=O)N(C)CN(C)C(=O)CC(=O)N(C)C
InChIInChI=1S/C13H24N4O4/c1-14(2)10(18)7-12(20)16(5)9-17(6)13(21)8-11(19)15(3)4/h7-9H2,1-6H3
InChIKeyZLOJEAKVCKKSBE-UHFFFAOYSA-N
MW300.36 g/mol
LogP-1.18
Rot. Bonds6

About N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide

N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide (PubChem CID 22889127) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide.

Molecular Properties

Compound NameN'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide
PubChem CID22889127
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC NameN'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide
SMILESCN(C)C(=O)CC(=O)N(C)CN(C)C(=O)CC(=O)N(C)C
InChIInChI=1S/C13H24N4O4/c1-14(2)10(18)7-12(20)16(5)9-17(6)13(21)8-11(19)15(3)4/h7-9H2,1-6H3
InChIKeyZLOJEAKVCKKSBE-UHFFFAOYSA-N
XLogP-1.18
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide?
The IUPAC name of N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide (CID 22889127) is N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide.
What is the SMILES notation for N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide?
The canonical SMILES for N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide is CN(C)C(=O)CC(=O)N(C)CN(C)C(=O)CC(=O)N(C)C.
What is the InChIKey of N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide?
The InChIKey is ZLOJEAKVCKKSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-14(2)10(18)7-12(20)16(5)9-17(6)13(21)8-11(19)15(3)4/h7-9H2,1-6H3.
What are the key properties of N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide?
N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide has a molecular weight of 300.36 g/mol, XLogP of -1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[[3-(dimethylamino)-3-oxopropanoyl]-methylamino]methyl]-N,N,N'-trimethylpropanediamide is sourced from PubChem (CID 22889127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).