4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide

C22H27N3O4 — CID 8833892

IUPAC4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27N3O4/c1-23-22(27)15-6-8-16(9-7-15)24-21(26)14-25-12-4-5-19(25)18-13-17(28-2)10-11-20(18)29-3/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyOCMHUMIXXZVLCA-LJQANCHMSA-N
MW397.48 g/mol
LogP2.84
Rot. Bonds7

About 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide

4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide (PubChem CID 8833892) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
PubChem CID8833892
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H27N3O4/c1-23-22(27)15-6-8-16(9-7-15)24-21(26)14-25-12-4-5-19(25)18-13-17(28-2)10-11-20(18)29-3/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1
InChIKeyOCMHUMIXXZVLCA-LJQANCHMSA-N
XLogP2.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
N-(3-chloro-4-methoxyphenyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46615040
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 8831486
2-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylacetamide
CID 8834006
2-[[2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8833574
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55409196
N-(2,6-diethylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8832055
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 40795104
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 51226739
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 8833875
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667
2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 8832070

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide (CID 8833892) is 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CN2CCC[C@@H]2c2cc(OC)ccc2OC)cc1.
What is the InChIKey of 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide?
The InChIKey is OCMHUMIXXZVLCA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-23-22(27)15-6-8-16(9-7-15)24-21(26)14-25-12-4-5-19(25)18-13-17(28-2)10-11-20(18)29-3/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,23,27)(H,24,26)/t19-/m1/s1.
What are the key properties of 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide?
4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 8833892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).