2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H27N3O3 — CID 113162989

IUPAC2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-17(26)25(15-18-7-3-4-8-21(18)28-2)16-22(27)23-19-9-11-20(12-10-19)24-13-5-6-14-24/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,27)
InChIKeyJWHJSLKOXPZWOH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.28
Rot. Bonds7

About 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 113162989) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID113162989
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O
InChIInChI=1S/C22H27N3O3/c1-17(26)25(15-18-7-3-4-8-21(18)28-2)16-22(27)23-19-9-11-20(12-10-19)24-13-5-6-14-24/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,27)
InChIKeyJWHJSLKOXPZWOH-UHFFFAOYSA-N
XLogP3.28
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.28
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-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 113162953
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 113163017
2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46405645
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
2-[acetyl(2-methylpropyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113158964
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113163325
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164552
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-cycloheptylacetamide
CID 113162917
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 113162989) is 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is COc1ccccc1CN(CC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is JWHJSLKOXPZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(26)25(15-18-7-3-4-8-21(18)28-2)16-22(27)23-19-9-11-20(12-10-19)24-13-5-6-14-24/h3-4,7-12H,5-6,13-16H2,1-2H3,(H,23,27).
What are the key properties of 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 113162989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).