methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate

C20H21NO3 — CID 75488391

IUPACmethyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H21NO3/c1-24-19(22)13-15-6-4-7-16(12-15)17-8-5-9-18(14-17)20(23)21-10-2-3-11-21/h4-9,12,14H,2-3,10-11,13H2,1H3
InChIKeyQYXXHXHPXAJYBX-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.31
Rot. Bonds4

About methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate

methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate (PubChem CID 75488391) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
PubChem CID75488391
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C20H21NO3/c1-24-19(22)13-15-6-4-7-16(12-15)17-8-5-9-18(14-17)20(23)21-10-2-3-11-21/h4-9,12,14H,2-3,10-11,13H2,1H3
InChIKeyQYXXHXHPXAJYBX-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
3-[3-(2-methoxy-2-oxoethyl)benzoyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxylic acid
CID 167850286
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
CID 143483937
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
formamide;methyl 2-(3-phenylphenyl)acetate
CID 169199106
methoxyethane;3-(pyrrolidine-1-carbonyl)benzoic acid
CID 142843675
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate (CID 75488391) is methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate is COC(=O)Cc1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate?
The InChIKey is QYXXHXHPXAJYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-19(22)13-15-6-4-7-16(12-15)17-8-5-9-18(14-17)20(23)21-10-2-3-11-21/h4-9,12,14H,2-3,10-11,13H2,1H3.
What are the key properties of methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate?
methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate has a molecular weight of 323.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetate is sourced from PubChem (CID 75488391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).