N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide

C23H27N3O4 — CID 55955262

IUPACN-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCOc1cccc(CC2CCCN2C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1
InChIInChI=1S/C23H27N3O4/c1-15(27)24-19-12-18(13-20(14-19)25-16(2)28)23(29)26-9-5-7-21(26)10-17-6-4-8-22(11-17)30-3/h4,6,8,11-14,21H,5,7,9-10H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZEODCGSISNGIJF-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.46
Rot. Bonds6

About N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 55955262) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID55955262
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCOc1cccc(CC2CCCN2C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1
InChIInChI=1S/C23H27N3O4/c1-15(27)24-19-12-18(13-20(14-19)25-16(2)28)23(29)26-9-5-7-21(26)10-17-6-4-8-22(11-17)30-3/h4,6,8,11-14,21H,5,7,9-10H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyZEODCGSISNGIJF-UHFFFAOYSA-N
XLogP3.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
N-[4-[[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 55897771
(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55957054
(4,5-dibromothiophen-2-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55897514
2-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 136562658
[(2R)-2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 97313584
N-cyclopentyl-2-methoxy-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55898155
(2R)-N-cyclopropyl-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide
CID 97000744
[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 55956927
4-tert-butyl-N-[2-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 55955388
N-[3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 66262101

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 55955262) is N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide is COc1cccc(CC2CCCN2C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is ZEODCGSISNGIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-15(27)24-19-12-18(13-20(14-19)25-16(2)28)23(29)26-9-5-7-21(26)10-17-6-4-8-22(11-17)30-3/h4,6,8,11-14,21H,5,7,9-10H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 55955262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).