2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

C17H25N3O2 — CID 122154551

IUPAC2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C17H25N3O2/c1-13-4-3-5-15(8-13)9-19-17(22)12-20-7-6-16(11-20)10-18-14(2)21/h3-5,8,16H,6-7,9-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHBIIIULHBDRLSV-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.07
Rot. Bonds6

About 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 122154551) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID122154551
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)NCc2cccc(C)c2)C1
InChIInChI=1S/C17H25N3O2/c1-13-4-3-5-15(8-13)9-19-17(22)12-20-7-6-16(11-20)10-18-14(2)21/h3-5,8,16H,6-7,9-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyHBIIIULHBDRLSV-UHFFFAOYSA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
N-benzyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267740
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
2-(4-formylpiperazin-1-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 108995714
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264114
N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
CID 124846288
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
CID 95204337
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266

Frequently Asked Questions

What is the IUPAC name of 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 122154551) is 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is CC(=O)NCC1CCN(CC(=O)NCc2cccc(C)c2)C1.
What is the InChIKey of 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is HBIIIULHBDRLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-4-3-5-15(8-13)9-19-17(22)12-20-7-6-16(11-20)10-18-14(2)21/h3-5,8,16H,6-7,9-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 122154551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).