4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide

C18H20N2O3 — CID 51088901

IUPAC4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCOc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O3/c1-12(21)15-10-17(20-11-15)18(22)19-7-8-23-16-6-5-13-3-2-4-14(13)9-16/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,19,22)
InChIKeyHZVYCPOUYPZCRD-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.51
Rot. Bonds6

About 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 51088901) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID51088901
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCCOc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H20N2O3/c1-12(21)15-10-17(20-11-15)18(22)19-7-8-23-16-6-5-13-3-2-4-14(13)9-16/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,19,22)
InChIKeyHZVYCPOUYPZCRD-UHFFFAOYSA-N
XLogP2.51
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 24616440
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
2,2-dimethyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]propanamide
CID 113101539
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113101460
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
5-bromo-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]thiophene-2-carboxamide
CID 55903273
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]butanamide
CID 113101532
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 9022574
5-nitro-1-N,3-N-bis[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzene-1,3-dicarboxamide
CID 3900364

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide (CID 51088901) is 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCCOc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HZVYCPOUYPZCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(21)15-10-17(20-11-15)18(22)19-7-8-23-16-6-5-13-3-2-4-14(13)9-16/h5-6,9-11,20H,2-4,7-8H2,1H3,(H,19,22).
What are the key properties of 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51088901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).