(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O4 — CID 92709504

IUPAC(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@H](CC(=O)Nc2ccc(OC)cc2OC)n2cccc2)c1
InChIInChI=1S/C22H24N2O4/c1-26-17-8-6-7-16(13-17)20(24-11-4-5-12-24)15-22(25)23-19-10-9-18(27-2)14-21(19)28-3/h4-14,20H,15H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyWMFBVVARIYDBNM-FQEVSTJZSA-N
MW380.44 g/mol
LogP4.13
Rot. Bonds8

About (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709504) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709504
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc([C@H](CC(=O)Nc2ccc(OC)cc2OC)n2cccc2)c1
InChIInChI=1S/C22H24N2O4/c1-26-17-8-6-7-16(13-17)20(24-11-4-5-12-24)15-22(25)23-19-10-9-18(27-2)14-21(19)28-3/h4-14,20H,15H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKeyWMFBVVARIYDBNM-FQEVSTJZSA-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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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
CID 46342878
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 92709504) is (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1cccc([C@H](CC(=O)Nc2ccc(OC)cc2OC)n2cccc2)c1.
What is the InChIKey of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is WMFBVVARIYDBNM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-17-8-6-7-16(13-17)20(24-11-4-5-12-24)15-22(25)23-19-10-9-18(27-2)14-21(19)28-3/h4-14,20H,15H2,1-3H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-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 (3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).