N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

C14H20N2O2 — CID 110640530

IUPACN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(N2CCC(CNC(C)=O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(17)15-9-12-7-8-16(10-12)13-3-5-14(18-2)6-4-13/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyCJJWAEGYKMMAAU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.66
Rot. Bonds4

About N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 110640530) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID110640530
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(N2CCC(CNC(C)=O)C2)cc1
InChIInChI=1S/C14H20N2O2/c1-11(17)15-9-12-7-8-16(10-12)13-3-5-14(18-2)6-4-13/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyCJJWAEGYKMMAAU-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 4226014
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659
3-[1-(4-methoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83981160
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 154750165
(1S,5R)-N-[[(3R)-1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 99848777
1-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119898769
1-(3,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]thiourea
CID 3687662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide (CID 110640530) is N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide is COc1ccc(N2CCC(CNC(C)=O)C2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is CJJWAEGYKMMAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)15-9-12-7-8-16(10-12)13-3-5-14(18-2)6-4-13/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide?
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 110640530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).