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

C22H33N3O4 — CID 11933934

IUPAC(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H33N3O4/c1-15(21(26)24-22(27)23-16-8-5-4-6-9-16)25-13-7-10-19(25)18-14-17(28-2)11-12-20(18)29-3/h11-12,14-16,19H,4-10,13H2,1-3H3,(H2,23,24,26,27)/t15-,19-/m1/s1
InChIKeyWFWHSYUTVCJREP-DNVCBOLYSA-N
MW403.52 g/mol
LogP3.39
Rot. Bonds6

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

(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 11933934) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID11933934
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H33N3O4/c1-15(21(26)24-22(27)23-16-8-5-4-6-9-16)25-13-7-10-19(25)18-14-17(28-2)11-12-20(18)29-3/h11-12,14-16,19H,4-10,13H2,1-3H3,(H2,23,24,26,27)/t15-,19-/m1/s1
InChIKeyWFWHSYUTVCJREP-DNVCBOLYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211
(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
methyl N-[(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]carbamate
CID 11934387
2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 17441603
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]propanamide
CID 11933933
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910
(2S)-N-(4-chlorophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934289
1-[(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanoyl]imidazolidin-2-one
CID 11933997
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 11934315
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide
CID 11933944

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide (CID 11933934) is (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is COc1ccc(OC)c([C@H]2CCCN2[C@H](C)C(=O)NC(=O)NC2CCCCC2)c1.
What is the InChIKey of (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is WFWHSYUTVCJREP-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-15(21(26)24-22(27)23-16-8-5-4-6-9-16)25-13-7-10-19(25)18-14-17(28-2)11-12-20(18)29-3/h11-12,14-16,19H,4-10,13H2,1-3H3,(H2,23,24,26,27)/t15-,19-/m1/s1.
What are the key properties of (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide?
(2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 403.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11933934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).