N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

C22H28N2O3 — CID 110414406

IUPACN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCN(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C22H28N2O3/c1-16-8-9-19(12-17(16)2)24-11-10-18(14-24)13-23-22(25)15-27-21-7-5-4-6-20(21)26-3/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,25)
InChIKeyCCKWFSCPYAILMK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.33
Rot. Bonds7

About N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 110414406) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID110414406
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCC1CCN(c2ccc(C)c(C)c2)C1
InChIInChI=1S/C22H28N2O3/c1-16-8-9-19(12-17(16)2)24-11-10-18(14-24)13-23-22(25)15-27-21-7-5-4-6-20(21)26-3/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,25)
InChIKeyCCKWFSCPYAILMK-UHFFFAOYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263567
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-3-methylbutanamide
CID 110640720
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[(1-phenylpyrrolidin-3-yl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55652389
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414375
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
3-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 110414411
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
2-(2-methoxyphenoxy)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 16918272

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide (CID 110414406) is N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCC1CCN(c2ccc(C)c(C)c2)C1.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CCKWFSCPYAILMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-8-9-19(12-17(16)2)24-11-10-18(14-24)13-23-22(25)15-27-21-7-5-4-6-20(21)26-3/h4-9,12,18H,10-11,13-15H2,1-3H3,(H,23,25).
What are the key properties of N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide?
N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 110414406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).