N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide

C11H22N2O3 — CID 60707643

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)11(15)13(3)8-10(14)12-6-5-7-16-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBBSPKQICFKVAOY-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds7

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 60707643) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID60707643
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCOCCCNC(=O)CN(C)C(=O)C(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)11(15)13(3)8-10(14)12-6-5-7-16-4/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyBBSPKQICFKVAOY-UHFFFAOYSA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(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
N-(3-methoxypropyl)-9-[methyl(2-methylpropanoyl)amino]nonanamide;molecular hydrogen
CID 170620722
4-amino-5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-5-oxopentanoic acid
CID 64890489
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
(2S)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide
CID 61163444
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
(2S)-2-(4-fluorophenoxy)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpropanamide
CID 94777102
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
6-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 60951961
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide (CID 60707643) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide is COCCCNC(=O)CN(C)C(=O)C(C)C.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is BBSPKQICFKVAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)11(15)13(3)8-10(14)12-6-5-7-16-4/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 60707643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).