N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide

C12H27N3O2 — CID 119855422

IUPACN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCN(C)CCOC
InChIInChI=1S/C12H27N3O2/c1-11(10-13-2)12(16)14-6-5-7-15(3)8-9-17-4/h11,13H,5-10H2,1-4H3,(H,14,16)
InChIKeyRVLJVUIEGNABFP-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.07
Rot. Bonds10

About N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide

N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119855422) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119855422
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCCN(C)CCOC
InChIInChI=1S/C12H27N3O2/c1-11(10-13-2)12(16)14-6-5-7-15(3)8-9-17-4/h11,13H,5-10H2,1-4H3,(H,14,16)
InChIKeyRVLJVUIEGNABFP-UHFFFAOYSA-N
XLogP-0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
2-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119855427
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119835669
N-(3-methoxypropyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79202132
3-amino-N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-phenylpropanamide
CID 119855410
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
CID 95298106
methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
CID 119686226
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
CID 110927292
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-methylpropanamide
CID 62843100
N'-(2-methoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)propane-1,3-diamine
CID 115709397

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide (CID 119855422) is N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCCN(C)CCOC.
What is the InChIKey of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is RVLJVUIEGNABFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(10-13-2)12(16)14-6-5-7-15(3)8-9-17-4/h11,13H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide?
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 245.37 g/mol, XLogP of -0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119855422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).