N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide

C21H24N2O3 — CID 91917759

IUPACN-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-9-7-18(8-10-19)21(25)23-12-11-17(15-23)13-20(24)22-14-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)
InChIKeyASZZAKPBRXZSSJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.86
Rot. Bonds6

About N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide

N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide (PubChem CID 91917759) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
PubChem CID91917759
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-9-7-18(8-10-19)21(25)23-12-11-17(15-23)13-20(24)22-14-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24)
InChIKeyASZZAKPBRXZSSJ-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 46378839
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide (CID 91917759) is N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide is COc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is ASZZAKPBRXZSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-9-7-18(8-10-19)21(25)23-12-11-17(15-23)13-20(24)22-14-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide?
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91917759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).