N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide

C10H16N2O2 — CID 110769094

IUPACN-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C10H16N2O2/c1-14-6-2-4-12-10(13)7-9-3-5-11-8-9/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyUNEIQEQCJNUANX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds6

About N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide

N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide (PubChem CID 110769094) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
PubChem CID110769094
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
SMILESCOCCCNC(=O)Cc1cc[nH]c1
InChIInChI=1S/C10H16N2O2/c1-14-6-2-4-12-10(13)7-9-3-5-11-8-9/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyUNEIQEQCJNUANX-UHFFFAOYSA-N
XLogP0.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769164
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
2-[4-(6-methoxy-2-oxohexyl)phenyl]-N-(3-methoxypropyl)acetamide
CID 147853289
N-(3-methoxypropyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766794
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
CID 69307200
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxypropyl)acetamide
CID 110688767
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
CID 110767727
2-(4-methoxy-2,3-dimethylphenyl)-N-(3-methoxypropyl)acetamide
CID 110769636

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide (CID 110769094) is N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide is COCCCNC(=O)Cc1cc[nH]c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide?
The InChIKey is UNEIQEQCJNUANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-6-2-4-12-10(13)7-9-3-5-11-8-9/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13).
What are the key properties of N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide?
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 110769094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).