2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

C21H27N3O — CID 10090773

IUPAC2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccccc1N)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-23(21(25)15-18-11-5-6-12-19(18)22)20(16-24-13-7-8-14-24)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16,22H2,1H3/t20-/m1/s1
InChIKeyKBOGONWWYNDJGV-HXUWFJFHSA-N
MW337.47 g/mol
LogP3.11
Rot. Bonds6

About 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide

2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 10090773) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID10090773
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
SMILESCN(C(=O)Cc1ccccc1N)[C@H](CN1CCCC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-23(21(25)15-18-11-5-6-12-19(18)22)20(16-24-13-7-8-14-24)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16,22H2,1H3/t20-/m1/s1
InChIKeyKBOGONWWYNDJGV-HXUWFJFHSA-N
XLogP3.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide (CID 10090773) is 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is CN(C(=O)Cc1ccccc1N)[C@H](CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is KBOGONWWYNDJGV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O/c1-23(21(25)15-18-11-5-6-12-19(18)22)20(16-24-13-7-8-14-24)17-9-3-2-4-10-17/h2-6,9-12,20H,7-8,13-16,22H2,1H3/t20-/m1/s1.
What are the key properties of 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide?
2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 10090773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).