N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H22ClN3O3 — CID 119713243

IUPACN-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1cc(NC(=O)CC2CCCN2)ccc1NC(C)=O.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(8-14(13)21-2)18-15(20)9-11-4-3-7-16-11;/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPVKDTAPLXAKQV-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.16
Rot. Bonds5

About N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119713243) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119713243
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCOc1cc(NC(=O)CC2CCCN2)ccc1NC(C)=O.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(8-14(13)21-2)18-15(20)9-11-4-3-7-16-11;/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyHPVKDTAPLXAKQV-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-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
N-[2-methoxy-5-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119791373
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
dimethyl 5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylate;hydrochloride
CID 119673725
4-methoxy-N,N-dimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119741845

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119713243) is N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is COc1cc(NC(=O)CC2CCCN2)ccc1NC(C)=O.Cl.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is HPVKDTAPLXAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10(19)17-13-6-5-12(8-14(13)21-2)18-15(20)9-11-4-3-7-16-11;/h5-6,8,11,16H,3-4,7,9H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(4-acetamido-3-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-(4-acetamido-3-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).