(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

C21H22N2O3 — CID 92709092

IUPAC(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-9-5-16(6-10-18)20(23-13-3-4-14-23)15-21(24)22-17-7-11-19(26-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyQFRYFOYEZOHKEN-HXUWFJFHSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds7

About (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide

(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709092) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709092
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)n2cccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-9-5-16(6-10-18)20(23-13-3-4-14-23)15-21(24)22-17-7-11-19(26-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1
InChIKeyQFRYFOYEZOHKEN-HXUWFJFHSA-N
XLogP4.12
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(4-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709170
(3R)-N-(4-acetylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709083
(3S)-N-(4-ethoxyphenyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 92710176
(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
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342627
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401

Frequently Asked Questions

What is the IUPAC name of (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide (CID 92709092) is (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(NC(=O)C[C@H](c2ccc(OC)cc2)n2cccc2)cc1.
What is the InChIKey of (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is QFRYFOYEZOHKEN-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-18-9-5-16(6-10-18)20(23-13-3-4-14-23)15-21(24)22-17-7-11-19(26-2)12-8-17/h3-14,20H,15H2,1-2H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide?
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).