2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C20H22N2O3 — CID 4932419

IUPAC2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O3/c1-15-7-6-8-16(13-15)25-14-19(23)21-18-10-3-2-9-17(18)20(24)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,23)
InChIKeyYBSPTQBKFXQRRP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 4932419) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID4932419
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C20H22N2O3/c1-15-7-6-8-16(13-15)25-14-19(23)21-18-10-3-2-9-17(18)20(24)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,23)
InChIKeyYBSPTQBKFXQRRP-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 55639621
2-[[2-(3-methylphenoxy)acetyl]amino]benzoate
CID 7035586
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 5138482
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
N-[2-(azepane-1-carbonyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4937891

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 4932419) is 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccccc2C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is YBSPTQBKFXQRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-15-7-6-8-16(13-15)25-14-19(23)21-18-10-3-2-9-17(18)20(24)22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,21,23).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4932419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).