3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide

C9H14N2O2 — CID 106385639

IUPAC3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCOCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C9H14N2O2/c1-13-5-3-9(12)11-7-8-2-4-10-6-8/h2,4,6,10H,3,5,7H2,1H3,(H,11,12)
InChIKeyIBHLAWXWYKWXIC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.67
Rot. Bonds5

About 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide

3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385639) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385639
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCOCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C9H14N2O2/c1-13-5-3-9(12)11-7-8-2-4-10-6-8/h2,4,6,10H,3,5,7H2,1H3,(H,11,12)
InChIKeyIBHLAWXWYKWXIC-UHFFFAOYSA-N
XLogP0.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119
3-(2,2-difluoroethoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385366
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
N-(3-methoxypropyl)-2-(1H-pyrrol-3-yl)acetamide
CID 110769094
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385943
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385639) is 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide is COCCC(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is IBHLAWXWYKWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-13-5-3-9(12)11-7-8-2-4-10-6-8/h2,4,6,10H,3,5,7H2,1H3,(H,11,12).
What are the key properties of 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 182.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).