4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

C23H28N2O3 — CID 92900722

IUPAC4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)24-22(26)18-10-12-21(13-11-18)28-15-20-5-4-14-25(20)23(27)19-8-6-17(3)7-9-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyFZMCXNPGMNZUSG-HXUWFJFHSA-N
MW380.49 g/mol
LogP3.82
Rot. Bonds6

About 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide

4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (PubChem CID 92900722) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
PubChem CID92900722
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)24-22(26)18-10-12-21(13-11-18)28-15-20-5-4-14-25(20)23(27)19-8-6-17(3)7-9-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeyFZMCXNPGMNZUSG-HXUWFJFHSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
4-[(1-propanoylpyrrolidin-2-yl)methoxy]-N-propan-2-ylbenzamide
CID 50846264
4-[[(2S)-1-(2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900623
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
4-[[(2S)-1-(2-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900710
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553
4-[[1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 163339849
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900692

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide (CID 92900722) is 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
The InChIKey is FZMCXNPGMNZUSG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)24-22(26)18-10-12-21(13-11-18)28-15-20-5-4-14-25(20)23(27)19-8-6-17(3)7-9-19/h6-13,16,20H,4-5,14-15H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide?
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide has a molecular weight of 380.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide is sourced from PubChem (CID 92900722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).