2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide

C12H20N2O2 — CID 42759988

IUPAC2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cccn1C)C(=O)COC
InChIInChI=1S/C12H20N2O2/c1-4-7-14(12(15)10-16-3)9-11-6-5-8-13(11)2/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyFJPCYPVUPUVTEK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds6

About 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide

2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide (PubChem CID 42759988) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
PubChem CID42759988
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cccn1C)C(=O)COC
InChIInChI=1S/C12H20N2O2/c1-4-7-14(12(15)10-16-3)9-11-6-5-8-13(11)2/h5-6,8H,4,7,9-10H2,1-3H3
InChIKeyFJPCYPVUPUVTEK-UHFFFAOYSA-N
XLogP1.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-phenylmethoxy-N-propylacetamide
CID 7237066
N-(3-methoxypropyl)-N-[(1-methylpyrrol-2-yl)methyl]dodecanamide
CID 42759885
3-chloro-N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 4315204
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 3552865
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3498628
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3642493
2-(butylamino)-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42767338
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4034455
ethyl 4-[2-methoxyethyl-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 4553190
N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42767486
N-butyl-2-[[2-(4-chlorophenoxy)acetyl]-(3-methoxypropyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3373531

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide?
The IUPAC name of 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide (CID 42759988) is 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide is CCCN(Cc1cccn1C)C(=O)COC.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide?
The InChIKey is FJPCYPVUPUVTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-7-14(12(15)10-16-3)9-11-6-5-8-13(11)2/h5-6,8H,4,7,9-10H2,1-3H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide?
2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide has a molecular weight of 224.30 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 42759988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).