2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H29N3O2 — CID 46405645

IUPAC2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1C(C)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(20-8-4-5-9-21(20)27-3)24(2)16-22(26)23-18-10-12-19(13-11-18)25-14-6-7-15-25/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,23,26)
InChIKeyVDPILPHCDSUPMT-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.93
Rot. Bonds7

About 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 46405645) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID46405645
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccccc1C(C)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-17(20-8-4-5-9-21(20)27-3)24(2)16-22(26)23-18-10-12-19(13-11-18)25-14-6-7-15-25/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,23,26)
InChIKeyVDPILPHCDSUPMT-UHFFFAOYSA-N
XLogP3.93
TPSA44.81 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 ≤ 53.93
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-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(2,6-dimethylphenyl)-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 86931156
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113162989
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792110
N-[4-(azepan-1-yl)phenyl]-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 40792112
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
2-[[(1S)-1-(2-chlorophenyl)ethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253059
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
(2R)-2-(2-methoxyphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550758
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyphenyl)ethyl-methylamino]acetamide
CID 55628506

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 46405645) is 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is COc1ccccc1C(C)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is VDPILPHCDSUPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(20-8-4-5-9-21(20)27-3)24(2)16-22(26)23-18-10-12-19(13-11-18)25-14-6-7-15-25/h4-5,8-13,17H,6-7,14-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 46405645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).