N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide

C12H21N3O2 — CID 112547870

IUPACN-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCOCCNC(=O)CCNCc1ccn(C)c1
InChIInChI=1S/C12H21N3O2/c1-15-7-4-11(10-15)9-13-5-3-12(16)14-6-8-17-2/h4,7,10,13H,3,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyUHZSNRGJMIQDQH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.27
Rot. Bonds8

About N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide

N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide (PubChem CID 112547870) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
PubChem CID112547870
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCOCCNC(=O)CCNCc1ccn(C)c1
InChIInChI=1S/C12H21N3O2/c1-15-7-4-11(10-15)9-13-5-3-12(16)14-6-8-17-2/h4,7,10,13H,3,5-6,8-9H2,1-2H3,(H,14,16)
InChIKeyUHZSNRGJMIQDQH-UHFFFAOYSA-N
XLogP0.27
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.27
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

3-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397923
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
1-(3-methoxypropyl)-3-[(1-methylpyrrol-3-yl)methyl]thiourea
CID 103723905
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide (CID 112547870) is N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide is COCCNC(=O)CCNCc1ccn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is UHZSNRGJMIQDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-7-4-11(10-15)9-13-5-3-12(16)14-6-8-17-2/h4,7,10,13H,3,5-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 239.32 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 112547870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).