2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide

C27H30N2O3 — CID 17441603

IUPAC2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCOc1ccc(OC)c(C2CCCN2C(C)C(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C27H30N2O3/c1-19(27(30)28-24-13-8-7-12-22(24)20-10-5-4-6-11-20)29-17-9-14-25(29)23-18-21(31-2)15-16-26(23)32-3/h4-8,10-13,15-16,18-19,25H,9,14,17H2,1-3H3,(H,28,30)
InChIKeyPHBZZDAIXDVDPG-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.53
Rot. Bonds7

About 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide

2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide (PubChem CID 17441603) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
PubChem CID17441603
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
SMILESCOc1ccc(OC)c(C2CCCN2C(C)C(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C27H30N2O3/c1-19(27(30)28-24-13-8-7-12-22(24)20-10-5-4-6-11-20)29-17-9-14-25(29)23-18-21(31-2)15-16-26(23)32-3/h4-8,10-13,15-16,18-19,25H,9,14,17H2,1-3H3,(H,28,30)
InChIKeyPHBZZDAIXDVDPG-UHFFFAOYSA-N
XLogP5.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 11934315
(2S)-N-(4-acetylphenyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933842
4-[[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]amino]benzamide
CID 11933896
(2S)-N-(2-phenylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944077
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11933934
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934243
2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide (CID 17441603) is 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide is COc1ccc(OC)c(C2CCCN2C(C)C(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide?
The InChIKey is PHBZZDAIXDVDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19(27(30)28-24-13-8-7-12-22(24)20-10-5-4-6-11-20)29-17-9-14-25(29)23-18-21(31-2)15-16-26(23)32-3/h4-8,10-13,15-16,18-19,25H,9,14,17H2,1-3H3,(H,28,30).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide?
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide has a molecular weight of 430.55 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 17441603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).