N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O4 — CID 6623491

IUPACN-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc(OC)cc(OC)c2)n2cccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-26-18-8-6-16(7-9-18)21(24-10-4-5-11-24)15-22(25)23-17-12-19(27-2)14-20(13-17)28-3/h4-14,21H,15H2,1-3H3,(H,23,25)
InChIKeyQOFNAHJMUADFPJ-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.13
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 6623491) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID6623491
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2cc(OC)cc(OC)c2)n2cccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-26-18-8-6-16(7-9-18)21(24-10-4-5-11-24)15-22(25)23-17-12-19(27-2)14-20(13-17)28-3/h4-14,21H,15H2,1-3H3,(H,23,25)
InChIKeyQOFNAHJMUADFPJ-UHFFFAOYSA-N
XLogP4.13
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 6623491) is N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(C(CC(=O)Nc2cc(OC)cc(OC)c2)n2cccc2)cc1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is QOFNAHJMUADFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-18-8-6-16(7-9-18)21(24-10-4-5-11-24)15-22(25)23-17-12-19(27-2)14-20(13-17)28-3/h4-14,21H,15H2,1-3H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 380.44 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 6623491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).