N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C19H23ClN2O2 — CID 3046004

IUPACN-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1cc(Oc2ccccc2)ccc1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-13-17(23-16-7-3-2-4-8-16)9-10-18(15)20-19(22)14-21-11-5-6-12-21;/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22);1H
InChIKeyZZCUBRWXAPNJIG-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.24
Rot. Bonds5

About N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 3046004) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID3046004
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCc1cc(Oc2ccccc2)ccc1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C19H22N2O2.ClH/c1-15-13-17(23-16-7-3-2-4-8-16)9-10-18(15)20-19(22)14-21-11-5-6-12-21;/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22);1H
InChIKeyZZCUBRWXAPNJIG-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 3046011
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
1-[2-oxo-2-(3-phenoxyanilino)ethyl]piperidine-4-carboxylic acid
CID 119907077
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(4-bromo-2-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 5007859
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 16909376
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 3046004) is N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is Cc1cc(Oc2ccccc2)ccc1NC(=O)CN1CCCC1.Cl.
What is the InChIKey of N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is ZZCUBRWXAPNJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.ClH/c1-15-13-17(23-16-7-3-2-4-8-16)9-10-18(15)20-19(22)14-21-11-5-6-12-21;/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22);1H.
What are the key properties of N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 3046004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).