N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide

C24H28N2O3 — CID 92900504

IUPACN-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C24H28N2O3/c1-16-5-6-19(14-17(16)2)24(28)26-13-3-4-21(26)15-29-22-11-7-18(8-12-22)23(27)25-20-9-10-20/h5-8,11-12,14,20-21H,3-4,9-10,13,15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyXTNSTBXOORGEET-OAQYLSRUSA-N
MW392.50 g/mol
LogP3.88
Rot. Bonds6

About N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide

N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide (PubChem CID 92900504) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
PubChem CID92900504
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC3CC3)cc2)cc1C
InChIInChI=1S/C24H28N2O3/c1-16-5-6-19(14-17(16)2)24(28)26-13-3-4-21(26)15-29-22-11-7-18(8-12-22)23(27)25-20-9-10-20/h5-8,11-12,14,20-21H,3-4,9-10,13,15H2,1-2H3,(H,25,27)/t21-/m1/s1
InChIKeyXTNSTBXOORGEET-OAQYLSRUSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339434
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[1-(3-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 50846553
4-[[(3S)-1-(3,4-dimethylbenzoyl)piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097911

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide (CID 92900504) is N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide is Cc1ccc(C(=O)N2CCC[C@@H]2COc2ccc(C(=O)NC3CC3)cc2)cc1C.
What is the InChIKey of N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide?
The InChIKey is XTNSTBXOORGEET-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-5-6-19(14-17(16)2)24(28)26-13-3-4-21(26)15-29-22-11-7-18(8-12-22)23(27)25-20-9-10-20/h5-8,11-12,14,20-21H,3-4,9-10,13,15H2,1-2H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide?
N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide is sourced from PubChem (CID 92900504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).