(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

C22H24N2O3 — CID 92709831

IUPAC(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)cc(OC)c1
InChIInChI=1S/C22H24N2O3/c1-16-7-6-8-17(11-16)21(24-9-4-5-10-24)15-22(25)23-18-12-19(26-2)14-20(13-18)27-3/h4-14,21H,15H2,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeyCWSXRDOCDBVVBD-NRFANRHFSA-N
MW364.45 g/mol
LogP4.43
Rot. Bonds7

About (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709831) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709831
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cc(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)cc(OC)c1
InChIInChI=1S/C22H24N2O3/c1-16-7-6-8-17(11-16)21(24-9-4-5-10-24)15-22(25)23-18-12-19(26-2)14-20(13-18)27-3/h4-14,21H,15H2,1-3H3,(H,23,25)/t21-/m0/s1
InChIKeyCWSXRDOCDBVVBD-NRFANRHFSA-N
XLogP4.43
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
(3S)-N-(3,5-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708877
(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 92709831) is (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is COc1cc(NC(=O)C[C@@H](c2cccc(C)c2)n2cccc2)cc(OC)c1.
What is the InChIKey of (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is CWSXRDOCDBVVBD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-7-6-8-17(11-16)21(24-9-4-5-10-24)15-22(25)23-18-12-19(26-2)14-20(13-18)27-3/h4-14,21H,15H2,1-3H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).