N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H22ClN3O3 — CID 119711100

IUPACN-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)c(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(21-2)9-14(13)18-15(20)8-11-4-3-7-16-11;/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyFBPPFHKLFKWPSK-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.16
Rot. Bonds5

About N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119711100) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119711100
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)c(NC(=O)CC2CCCN2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(21-2)9-14(13)18-15(20)8-11-4-3-7-16-11;/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyFBPPFHKLFKWPSK-UHFFFAOYSA-N
XLogP2.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119713243
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
N-[4-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61366412

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119711100) is N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1ccc(NC(C)=O)c(NC(=O)CC2CCCN2)c1.Cl.
What is the InChIKey of N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is FBPPFHKLFKWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(21-2)9-14(13)18-15(20)8-11-4-3-7-16-11;/h5-6,9,11,16H,3-4,7-8H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119711100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).