N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide

C16H18N2O3 — CID 3759696

IUPACN-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-14(19)12-8-13(17-10-12)16(20)18-9-11-6-4-5-7-15(11)21-2/h4-8,10,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyFJKZGLZJXQLVFC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide

N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide (PubChem CID 3759696) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide
PubChem CID3759696
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C16H18N2O3/c1-3-14(19)12-8-13(17-10-12)16(20)18-9-11-6-4-5-7-15(11)21-2/h4-8,10,17H,3,9H2,1-2H3,(H,18,20)
InChIKeyFJKZGLZJXQLVFC-UHFFFAOYSA-N
XLogP2.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide (CID 3759696) is N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide is CCC(=O)c1c[nH]c(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide?
The InChIKey is FJKZGLZJXQLVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-14(19)12-8-13(17-10-12)16(20)18-9-11-6-4-5-7-15(11)21-2/h4-8,10,17H,3,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-propanoyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3759696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).