N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

C21H26N4O4 — CID 162662882

IUPACN-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H26N4O4/c1-22-19(26)14-25(13-15-7-3-4-8-18(15)29-2)20(27)16-11-17(23-12-16)21(28)24-9-5-6-10-24/h3-4,7-8,11-12,23H,5-6,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyVBILBCHRQRVZMG-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.65
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (PubChem CID 162662882) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
PubChem CID162662882
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
SMILESCNC(=O)CN(Cc1ccccc1OC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C21H26N4O4/c1-22-19(26)14-25(13-15-7-3-4-8-18(15)29-2)20(27)16-11-17(23-12-16)21(28)24-9-5-6-10-24/h3-4,7-8,11-12,23H,5-6,9-10,13-14H2,1-2H3,(H,22,26)
InChIKeyVBILBCHRQRVZMG-UHFFFAOYSA-N
XLogP1.65
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide (CID 162662882) is N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is CNC(=O)CN(Cc1ccccc1OC)C(=O)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
The InChIKey is VBILBCHRQRVZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-22-19(26)14-25(13-15-7-3-4-8-18(15)29-2)20(27)16-11-17(23-12-16)21(28)24-9-5-6-10-24/h3-4,7-8,11-12,23H,5-6,9-10,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[2-(methylamino)-2-oxoethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 162662882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).