2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

C22H29N3O2 — CID 55534225

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)19-7-6-17(3)20(13-19)27-15-22(26)24-14-18-8-9-23-21(12-18)25-10-4-5-11-25/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyIPGZXIUXWGQLDP-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.81
Rot. Bonds7

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 55534225) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID55534225
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H29N3O2/c1-16(2)19-7-6-17(3)20(13-19)27-15-22(26)24-14-18-8-9-23-21(12-18)25-10-4-5-11-25/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyIPGZXIUXWGQLDP-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[(4-acetamidophenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 24685838
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37312156
2-(2-methyl-5-propan-2-ylphenoxy)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527383
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080
2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 36752372

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (CID 55534225) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is IPGZXIUXWGQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)19-7-6-17(3)20(13-19)27-15-22(26)24-14-18-8-9-23-21(12-18)25-10-4-5-11-25/h6-9,12-13,16H,4-5,10-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55534225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).