N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide

C11H19N3O2 — CID 115686119

IUPACN-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
SMILESCOCCNC(=O)CCNCc1cc[nH]c1
InChIInChI=1S/C11H19N3O2/c1-16-7-6-14-11(15)3-5-13-9-10-2-4-12-8-10/h2,4,8,12-13H,3,5-7,9H2,1H3,(H,14,15)
InChIKeyVTPUUUMSZPXBFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.26
Rot. Bonds8

About N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide

N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide (PubChem CID 115686119) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
PubChem CID115686119
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
SMILESCOCCNC(=O)CCNCc1cc[nH]c1
InChIInChI=1S/C11H19N3O2/c1-16-7-6-14-11(15)3-5-13-9-10-2-4-12-8-10/h2,4,8,12-13H,3,5-7,9H2,1H3,(H,14,15)
InChIKeyVTPUUUMSZPXBFC-UHFFFAOYSA-N
XLogP0.26
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
N-(2-methoxyethyl)-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 112547870
3-[(3,4-dimethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686545
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
N-(2-methoxyethyl)-3-[(2-propylpyrazol-3-yl)methylamino]propanamide
CID 114556095
3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide (CID 115686119) is N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide is COCCNC(=O)CCNCc1cc[nH]c1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide?
The InChIKey is VTPUUUMSZPXBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-7-6-14-11(15)3-5-13-9-10-2-4-12-8-10/h2,4,8,12-13H,3,5-7,9H2,1H3,(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide?
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide is sourced from PubChem (CID 115686119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).