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

C21H27N3O — CID 120669435

IUPAC2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)N(C)Cc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-9-11-17(12-10-16)20(22)21(25)23(2)15-18-7-3-4-8-19(18)24-13-5-6-14-24/h3-4,7-12,20H,5-6,13-15,22H2,1-2H3
InChIKeyRFTKELFXKCSFSH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.25
Rot. Bonds5

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

2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (PubChem CID 120669435) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
PubChem CID120669435
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)N(C)Cc2ccccc2N2CCCC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-9-11-17(12-10-16)20(22)21(25)23(2)15-18-7-3-4-8-19(18)24-13-5-6-14-24/h3-4,7-12,20H,5-6,13-15,22H2,1-2H3
InChIKeyRFTKELFXKCSFSH-UHFFFAOYSA-N
XLogP3.25
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide (CID 120669435) is 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is Cc1ccc(C(N)C(=O)N(C)Cc2ccccc2N2CCCC2)cc1.
What is the InChIKey of 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
The InChIKey is RFTKELFXKCSFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-9-11-17(12-10-16)20(22)21(25)23(2)15-18-7-3-4-8-19(18)24-13-5-6-14-24/h3-4,7-12,20H,5-6,13-15,22H2,1-2H3.
What are the key properties of 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide?
2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 120669435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).