2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H24N2O3 — CID 17196352

IUPAC2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-7-3-4-8-19(15)26-16(2)20(24)22-18-11-9-17(10-12-18)21(25)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyZHDKXDILJXHEQY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds5

About 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 17196352) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID17196352
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccccc1OC(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15-7-3-4-8-19(15)26-16(2)20(24)22-18-11-9-17(10-12-18)21(25)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,22,24)
InChIKeyZHDKXDILJXHEQY-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

2-(2-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179652
2-(2-methylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166702
2-(2-methoxyphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 17194742
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
2-(2,4-dichlorophenoxy)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 43878151
N-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
(2R)-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-cyanophenoxy)propanamide
CID 94625699
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 107903159

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 17196352) is 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1ccccc1OC(C)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is ZHDKXDILJXHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-3-4-8-19(15)26-16(2)20(24)22-18-11-9-17(10-12-18)21(25)23-13-5-6-14-23/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-(2-methylphenoxy)-N-[4-(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-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 17196352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).