N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide

C21H34N2O2 — CID 174948159

IUPACN,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)CN1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C21H34N2O2/c1-4-6-14-22(15-7-5-2)21(24)17-23-16-8-9-20(23)18-10-12-19(25-3)13-11-18/h10-13,20H,4-9,14-17H2,1-3H3
InChIKeyMYPLQFGXMLVAKL-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.26
Rot. Bonds10

About N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide

N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 174948159) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID174948159
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(CCCC)C(=O)CN1CCCC1c1ccc(OC)cc1
InChIInChI=1S/C21H34N2O2/c1-4-6-14-22(15-7-5-2)21(24)17-23-16-8-9-20(23)18-10-12-19(25-3)13-11-18/h10-13,20H,4-9,14-17H2,1-3H3
InChIKeyMYPLQFGXMLVAKL-UHFFFAOYSA-N
XLogP4.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471
1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 142751983
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60505377
2-[4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N,N-dibutylacetamide
CID 57304896
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100848998
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 51673209
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-N-methylacetamide
CID 124811995

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 174948159) is N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide is CCCCN(CCCC)C(=O)CN1CCCC1c1ccc(OC)cc1.
What is the InChIKey of N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is MYPLQFGXMLVAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-4-6-14-22(15-7-5-2)21(24)17-23-16-8-9-20(23)18-10-12-19(25-3)13-11-18/h10-13,20H,4-9,14-17H2,1-3H3.
What are the key properties of N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 346.52 g/mol, XLogP of 4.26, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 174948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).