N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

C16H18N2O3 — CID 20893916

IUPACN-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2oc3ccccc3c2n1C
InChIInChI=1S/C16H18N2O3/c1-18-12(16(19)17-8-5-9-20-2)10-14-15(18)11-6-3-4-7-13(11)21-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19)
InChIKeyOFDIKHQKIQUTMU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.69
Rot. Bonds5

About N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide

N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (PubChem CID 20893916) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
PubChem CID20893916
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
SMILESCOCCCNC(=O)c1cc2oc3ccccc3c2n1C
InChIInChI=1S/C16H18N2O3/c1-18-12(16(19)17-8-5-9-20-2)10-14-15(18)11-6-3-4-7-13(11)21-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19)
InChIKeyOFDIKHQKIQUTMU-UHFFFAOYSA-N
XLogP2.69
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054817
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-methoxypropyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4189020
1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
CID 53004565
1-ethyl-N-[(4-propoxyphenyl)methyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 20885509
N-[3-(dimethylamino)propyl]-1-(2-methoxyethyl)-4-methylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361270
1-methyl-4-oxo-N-(pyridin-2-ylmethyl)chromeno[4,3-b]pyrrole-2-carboxamide
CID 53004567
2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 7463347
N-(3-methoxypropyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001193
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide (CID 20893916) is N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is COCCCNC(=O)c1cc2oc3ccccc3c2n1C.
What is the InChIKey of N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
The InChIKey is OFDIKHQKIQUTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-12(16(19)17-8-5-9-20-2)10-14-15(18)11-6-3-4-7-13(11)21-14/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide?
N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 20893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).