2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C21H27N3O2 — CID 119832172

IUPAC2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-19-6-4-5-17(14-19)20(24-11-2-3-12-24)15-23-21(25)13-16-7-9-18(22)10-8-16/h4-10,14,20H,2-3,11-13,15,22H2,1H3,(H,23,25)
InChIKeyCMWWITAZNGGCJG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.77
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 119832172) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID119832172
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCOc1cccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-19-6-4-5-17(14-19)20(24-11-2-3-12-24)15-23-21(25)13-16-7-9-18(22)10-8-16/h4-10,14,20H,2-3,11-13,15,22H2,1H3,(H,23,25)
InChIKeyCMWWITAZNGGCJG-UHFFFAOYSA-N
XLogP2.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
2-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 44902868
2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46521724
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
5-(methoxymethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 78840080

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 119832172) is 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is COc1cccc(C(CNC(=O)Cc2ccc(N)cc2)N2CCCC2)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is CMWWITAZNGGCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-19-6-4-5-17(14-19)20(24-11-2-3-12-24)15-23-21(25)13-16-7-9-18(22)10-8-16/h4-10,14,20H,2-3,11-13,15,22H2,1H3,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 119832172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).