N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide

C13H23N3O2 — CID 113405048

IUPACN-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
SMILESCCCn1cccc1CNCC(=O)NCCOC
InChIInChI=1S/C13H23N3O2/c1-3-7-16-8-4-5-12(16)10-14-11-13(17)15-6-9-18-2/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,15,17)
InChIKeyMBXQECXSPMZHEN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.75
Rot. Bonds9

About N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide

N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide (PubChem CID 113405048) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
PubChem CID113405048
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
SMILESCCCn1cccc1CNCC(=O)NCCOC
InChIInChI=1S/C13H23N3O2/c1-3-7-16-8-4-5-12(16)10-14-11-13(17)15-6-9-18-2/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,15,17)
InChIKeyMBXQECXSPMZHEN-UHFFFAOYSA-N
XLogP0.75
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.75
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

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 66401871
N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 107640510
N-[[1-(3-methoxypropyl)pyrrol-2-yl]methyl]ethanamine
CID 66402534
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N-propan-2-ylacetamide
CID 66401085
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
N-[[1-(methoxymethyl)pyrrol-2-yl]methyl]propan-1-amine
CID 66403728

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide (CID 113405048) is N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide is CCCn1cccc1CNCC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
The InChIKey is MBXQECXSPMZHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-7-16-8-4-5-12(16)10-14-11-13(17)15-6-9-18-2/h4-5,8,14H,3,6-7,9-11H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide?
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide is sourced from PubChem (CID 113405048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).