N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide

C10H16N2O2 — CID 63810814

IUPACN-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
SMILESCOCCCNC(=O)Cn1cccc1
InChIInChI=1S/C10H16N2O2/c1-14-8-4-5-11-10(13)9-12-6-2-3-7-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,13)
InChIKeyWMGCJFLZAJUYKY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.64
Rot. Bonds6

About N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide

N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide (PubChem CID 63810814) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
PubChem CID63810814
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3-methoxypropyl)-2-pyrrol-1-ylacetamide
SMILESCOCCCNC(=O)Cn1cccc1
InChIInChI=1S/C10H16N2O2/c1-14-8-4-5-11-10(13)9-12-6-2-3-7-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,13)
InChIKeyWMGCJFLZAJUYKY-UHFFFAOYSA-N
XLogP0.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.64
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

N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103179
N-(3-methoxypropyl)-2-(3-propanoylpyrrol-1-yl)acetamide
CID 79099198
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
N-(2-methoxyethyl)-3-pyrrol-1-ylpropanamide
CID 110688667
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
N-(3-methylbutyl)-2-pyrrol-1-ylacetamide
CID 63809996
N-(3-methoxypropyl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]acetamide
CID 79098591
2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106720364
3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide (CID 63810814) is N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide is COCCCNC(=O)Cn1cccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide?
The InChIKey is WMGCJFLZAJUYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-8-4-5-11-10(13)9-12-6-2-3-7-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,11,13).
What are the key properties of N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide?
N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide has a molecular weight of 196.25 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 63810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).