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

C21H24N2O3 — CID 5138482

IUPAC2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-8-7-9-17(14-15)26-16(2)20(24)22-19-11-4-3-10-18(19)21(25)23-12-5-6-13-23/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3,(H,22,24)
InChIKeyHUTQFPWABUAJAQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds5

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

2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 5138482) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID5138482
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H24N2O3/c1-15-8-7-9-17(14-15)26-16(2)20(24)22-19-11-4-3-10-18(19)21(25)23-12-5-6-13-23/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3,(H,22,24)
InChIKeyHUTQFPWABUAJAQ-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 40796627
(2R)-2-(3-methoxyphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 28637146
2-(3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 4928588
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 92947905
2-(2,6-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 4958532
2-(4-chloro-3-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 2995669
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2S)-N-[2-(azepane-1-carbonyl)phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94012360
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419
ethyl 4-[2-(2-phenoxypropanoylamino)benzoyl]piperazine-1-carboxylate
CID 17311893
2-(4-methylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 4933116
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 5138482) is 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2ccccc2C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is HUTQFPWABUAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-8-7-9-17(14-15)26-16(2)20(24)22-19-11-4-3-10-18(19)21(25)23-12-5-6-13-23/h3-4,7-11,14,16H,5-6,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.64, 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]propanamide is sourced from PubChem (CID 5138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).