1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide

C20H22N2O4 — CID 156611450

IUPAC1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CC(COc3ccccc3)C(C(N)=O)C2)c1
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-6-14(10-17)20(24)22-11-15(18(12-22)19(21)23)13-26-16-7-3-2-4-8-16/h2-10,15,18H,11-13H2,1H3,(H2,21,23)
InChIKeyCUXGAVINWZRCJJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.95
Rot. Bonds6

About 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide

1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide (PubChem CID 156611450) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
PubChem CID156611450
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide
SMILESCOc1cccc(C(=O)N2CC(COc3ccccc3)C(C(N)=O)C2)c1
InChIInChI=1S/C20H22N2O4/c1-25-17-9-5-6-14(10-17)20(24)22-11-15(18(12-22)19(21)23)13-26-16-7-3-2-4-8-16/h2-10,15,18H,11-13H2,1H3,(H2,21,23)
InChIKeyCUXGAVINWZRCJJ-UHFFFAOYSA-N
XLogP1.95
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
(3S,4S)-1-(3-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203535
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3S,4S)-4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-3-carboxamide
CID 110203709
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 124788856
[(3R,4S)-3-amino-4-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-prop-2-enoxyphenyl)methanone
CID 72940098
2-[(3-methoxyphenoxy)methyl]cyclopropane-1-carboxylic acid
CID 112547416
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone;hydrochloride
CID 120748899
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
2-[(3S,4S)-4-(4-chlorophenoxy)-1-(3-methoxybenzoyl)piperidin-3-yl]acetamide
CID 110079978

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide (CID 156611450) is 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide is COc1cccc(C(=O)N2CC(COc3ccccc3)C(C(N)=O)C2)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide?
The InChIKey is CUXGAVINWZRCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-5-6-14(10-17)20(24)22-11-15(18(12-22)19(21)23)13-26-16-7-3-2-4-8-16/h2-10,15,18H,11-13H2,1H3,(H2,21,23).
What are the key properties of 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide?
1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-4-(phenoxymethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 156611450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).