2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C23H31N3O2 — CID 18094899

IUPAC2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCCN(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-6-9-21(10-7-18)28-15-14-25(3)17-23(27)24-22-11-8-20(16-19(22)2)26-12-4-5-13-26/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,27)
InChIKeyMDXKZXPUFSLROZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.85
Rot. Bonds8

About 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 18094899) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID18094899
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCCN(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-6-9-21(10-7-18)28-15-14-25(3)17-23(27)24-22-11-8-20(16-19(22)2)26-12-4-5-13-26/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,27)
InChIKeyMDXKZXPUFSLROZ-UHFFFAOYSA-N
XLogP3.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
4-(4-acetylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 26070713
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088648
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 24507686
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 46555969
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 110362026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 18094899) is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1ccc(OCCN(C)CC(=O)Nc2ccc(N3CCCC3)cc2C)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is MDXKZXPUFSLROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-6-9-21(10-7-18)28-15-14-25(3)17-23(27)24-22-11-8-20(16-19(22)2)26-12-4-5-13-26/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,27).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 18094899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).