2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide

C22H29N3O2 — CID 120669331

IUPAC2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)C(N)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-17(12-10-16)21(23)22(26)24-15-19(25-13-5-6-14-25)18-7-3-4-8-20(18)27-2/h3-4,7-12,19,21H,5-6,13-15,23H2,1-2H3,(H,24,26)
InChIKeyHMTDTHRVNYPSNM-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.96
Rot. Bonds7

About 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide

2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide (PubChem CID 120669331) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
PubChem CID120669331
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)C(N)c1ccc(C)cc1)N1CCCC1
InChIInChI=1S/C22H29N3O2/c1-16-9-11-17(12-10-16)21(23)22(26)24-15-19(25-13-5-6-14-25)18-7-3-4-8-20(18)27-2/h3-4,7-12,19,21H,5-6,13-15,23H2,1-2H3,(H,24,26)
InChIKeyHMTDTHRVNYPSNM-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669308
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119849317
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
1-(2-methoxyphenyl)-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 17497858
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylthiophene-2-carboxamide
CID 51164557
2-amino-N-[2-(2-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666713
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide (CID 120669331) is 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide is COc1ccccc1C(CNC(=O)C(N)c1ccc(C)cc1)N1CCCC1.
What is the InChIKey of 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is HMTDTHRVNYPSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-9-11-17(12-10-16)21(23)22(26)24-15-19(25-13-5-6-14-25)18-7-3-4-8-20(18)27-2/h3-4,7-12,19,21H,5-6,13-15,23H2,1-2H3,(H,24,26).
What are the key properties of 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).