2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide

C23H29N3O3 — CID 110400419

IUPAC2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18-4-7-20(8-5-18)29-17-23(27)24-21-16-19(25-12-14-28-15-13-25)6-9-22(21)26-10-2-3-11-26/h4-9,16H,2-3,10-15,17H2,1H3,(H,24,27)
InChIKeyNJXRBWXEQLRSHT-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.45
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide

2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 110400419) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID110400419
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18-4-7-20(8-5-18)29-17-23(27)24-21-16-19(25-12-14-28-15-13-25)6-9-22(21)26-10-2-3-11-26/h4-9,16H,2-3,10-15,17H2,1H3,(H,24,27)
InChIKeyNJXRBWXEQLRSHT-UHFFFAOYSA-N
XLogP3.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 110362026
2-(4-chlorophenoxy)-N-(2-methyl-5-morpholin-4-ylphenyl)acetamide
CID 110362472
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-methoxy-2-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 6471849
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide (CID 110400419) is 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide is Cc1ccc(OCC(=O)Nc2cc(N3CCOCC3)ccc2N2CCCC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is NJXRBWXEQLRSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-4-7-20(8-5-18)29-17-23(27)24-21-16-19(25-12-14-28-15-13-25)6-9-22(21)26-10-2-3-11-26/h4-9,16H,2-3,10-15,17H2,1H3,(H,24,27).
What are the key properties of 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide?
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110400419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).