2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide

C16H24N2O2 — CID 47117656

IUPAC2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-16(19)12-18-11-4-5-15(18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyTYLGZJBZKKFZMP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.36
Rot. Bonds6

About 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide

2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide (PubChem CID 47117656) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
PubChem CID47117656
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-16(19)12-18-11-4-5-15(18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19)
InChIKeyTYLGZJBZKKFZMP-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 174948159
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
N-(furan-2-ylmethylcarbamoyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 47006382

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide (CID 47117656) is 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCCC1c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide?
The InChIKey is TYLGZJBZKKFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-17-16(19)12-18-11-4-5-15(18)13-6-8-14(20-2)9-7-13/h6-9,15H,3-5,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide?
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide has a molecular weight of 276.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 47117656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).