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

C22H26N2O3 — CID 43043470

IUPAC2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-11-20(12-6-16)27-17(2)21(25)23-15-18-7-9-19(10-8-18)22(26)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyBQFNFDSGPQEACV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.31
Rot. Bonds6

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

2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 43043470) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID43043470
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-16-5-11-20(12-6-16)27-17(2)21(25)23-15-18-7-9-19(10-8-18)22(26)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,25)
InChIKeyBQFNFDSGPQEACV-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 18119539
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-bromophenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55709018
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
2-(4-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17482286
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
2-(3-tert-butylphenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55780106
2-(4-methoxyphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767803
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2S)-2-(4-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31591923

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (CID 43043470) is 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is Cc1ccc(OC(C)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is BQFNFDSGPQEACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-5-11-20(12-6-16)27-17(2)21(25)23-15-18-7-9-19(10-8-18)22(26)24-13-3-4-14-24/h5-12,17H,3-4,13-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 366.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 43043470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).