2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C21H26N2O2 — CID 56559429

IUPAC2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-4-6-20(13-15)25-17(3)21(24)22-18-7-9-19(10-8-18)23-12-11-16(2)14-23/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyCNDQRLNQKKKBDC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.25
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56559429) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56559429
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-15-5-4-6-20(13-15)25-17(3)21(24)22-18-7-9-19(10-8-18)23-12-11-16(2)14-23/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyCNDQRLNQKKKBDC-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555945
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559401
(2S)-2-(3-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 92681474
(2S)-2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100506199
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
2-[(3-methylphenyl)methylsulfanyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56559198

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56559429) is 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is CNDQRLNQKKKBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-5-4-6-20(13-15)25-17(3)21(24)22-18-7-9-19(10-8-18)23-12-11-16(2)14-23/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.25, 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-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56559429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).