N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide

C20H24N2O2 — CID 3046011

IUPACN-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(OCc2ccccc2)ccc1NC(=O)CN1CCCC1
InChIInChI=1S/C20H24N2O2/c1-16-13-18(24-15-17-7-3-2-4-8-17)9-10-19(16)21-20(23)14-22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,21,23)
InChIKeyHXGQGKUGZZDTOU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.61
Rot. Bonds6

About N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide

N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 3046011) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID3046011
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCc1cc(OCc2ccccc2)ccc1NC(=O)CN1CCCC1
InChIInChI=1S/C20H24N2O2/c1-16-13-18(24-15-17-7-3-2-4-8-17)9-10-19(16)21-20(23)14-22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,21,23)
InChIKeyHXGQGKUGZZDTOU-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 3046004
N-(2-methyl-4-phenylmethoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 86967276
2-chloro-N-[2-methyl-4-[(4-methylphenyl)methoxy]phenyl]acetamide
CID 39431489
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
N-(2-methyl-4-phenylmethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidine-1-carboxamide
CID 86967284
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
ethyl 1-[2-oxo-2-(3-phenylmethoxyanilino)ethyl]piperidine-4-carboxylate
CID 54837787
2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78820196
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 3046011) is N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide is Cc1cc(OCc2ccccc2)ccc1NC(=O)CN1CCCC1.
What is the InChIKey of N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is HXGQGKUGZZDTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-13-18(24-15-17-7-3-2-4-8-17)9-10-19(16)21-20(23)14-22-11-5-6-12-22/h2-4,7-10,13H,5-6,11-12,14-15H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3046011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).