2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide

C11H22N4O4 — CID 54874049

IUPAC2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
SMILESCOCCCNC(=O)CN(C)C(=O)CNC(=O)CN
InChIInChI=1S/C11H22N4O4/c1-15(11(18)7-14-9(16)6-12)8-10(17)13-4-3-5-19-2/h3-8,12H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyVSCROGXSMCZTJM-UHFFFAOYSA-N
MW274.32 g/mol
LogP-2.33
Rot. Bonds9

About 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide (PubChem CID 54874049) has the molecular formula C11H22N4O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
PubChem CID54874049
Molecular FormulaC11H22N4O4
Molecular Weight274.32 g/mol
Exact Mass274.16
IUPAC Name2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
SMILESCOCCCNC(=O)CN(C)C(=O)CNC(=O)CN
InChIInChI=1S/C11H22N4O4/c1-15(11(18)7-14-9(16)6-12)8-10(17)13-4-3-5-19-2/h3-8,12H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyVSCROGXSMCZTJM-UHFFFAOYSA-N
XLogP-2.33
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 79286861
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
2-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855427
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 61163445
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
2-(4-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylacetamide
CID 51307828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide (CID 54874049) is 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide is COCCCNC(=O)CN(C)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide?
The InChIKey is VSCROGXSMCZTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4/c1-15(11(18)7-14-9(16)6-12)8-10(17)13-4-3-5-19-2/h3-8,12H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of -2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54874049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).